N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide

C22H35N5O2 — CID 171389119

IUPACN-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(C[C@H]1CC[C@@H](CNC(=O)C2CCCC2)N1CC1CC1)NCCc1ccn[nH]1
InChIInChI=1S/C22H35N5O2/c28-21(23-11-9-18-10-12-25-26-18)13-19-7-8-20(27(19)15-16-5-6-16)14-24-22(29)17-3-1-2-4-17/h10,12,16-17,19-20H,1-9,11,13-15H2,(H,23,28)(H,24,29)(H,25,26)/t19-,20+/m1/s1
InChIKeyDHGRHAZFVMGMMR-UXHICEINSA-N
MW401.56 g/mol
LogP2.01
Rot. Bonds10

About N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 171389119) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide
PubChem CID171389119
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC NameN-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(C[C@H]1CC[C@@H](CNC(=O)C2CCCC2)N1CC1CC1)NCCc1ccn[nH]1
InChIInChI=1S/C22H35N5O2/c28-21(23-11-9-18-10-12-25-26-18)13-19-7-8-20(27(19)15-16-5-6-16)14-24-22(29)17-3-1-2-4-17/h10,12,16-17,19-20H,1-9,11,13-15H2,(H,23,28)(H,24,29)(H,25,26)/t19-,20+/m1/s1
InChIKeyDHGRHAZFVMGMMR-UXHICEINSA-N
XLogP2.01
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 166619412
2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
CID 122562469
2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 170511118
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(2-phenoxyethyl)acetamide
CID 166618468
2-cyclobutyl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103706823
2-amino-N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
CID 171388558
2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 166613070
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
CID 154818376
(3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
CID 125175125
N-[(3-hydroxycyclopentyl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 103279716
1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 60976301
1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 154774733

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide (CID 171389119) is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide is O=C(C[C@H]1CC[C@@H](CNC(=O)C2CCCC2)N1CC1CC1)NCCc1ccn[nH]1.
What is the InChIKey of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is DHGRHAZFVMGMMR-UXHICEINSA-N. The full InChI is InChI=1S/C22H35N5O2/c28-21(23-11-9-18-10-12-25-26-18)13-19-7-8-20(27(19)15-16-5-6-16)14-24-22(29)17-3-1-2-4-17/h10,12,16-17,19-20H,1-9,11,13-15H2,(H,23,28)(H,24,29)(H,25,26)/t19-,20+/m1/s1.
What are the key properties of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide?
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 401.56 g/mol, XLogP of 2.01, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 171389119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).