N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide

C21H30N6O2 — CID 171911339

IUPACN-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(C[C@H]1CC[C@@H](CNC(=O)c2ccc[nH]2)N1CC1CC1)NCCc1cn[nH]c1
InChIInChI=1S/C21H30N6O2/c28-20(23-9-7-16-11-25-26-12-16)10-17-5-6-18(27(17)14-15-3-4-15)13-24-21(29)19-2-1-8-22-19/h1-2,8,11-12,15,17-18,22H,3-7,9-10,13-14H2,(H,23,28)(H,24,29)(H,25,26)/t17-,18+/m1/s1
InChIKeyRCEWGJPQYNQMLO-MSOLQXFVSA-N
MW398.51 g/mol
LogP1.46
Rot. Bonds10

About N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 171911339) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID171911339
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(C[C@H]1CC[C@@H](CNC(=O)c2ccc[nH]2)N1CC1CC1)NCCc1cn[nH]c1
InChIInChI=1S/C21H30N6O2/c28-20(23-9-7-16-11-25-26-12-16)10-17-5-6-18(27(17)14-15-3-4-15)13-24-21(29)19-2-1-8-22-19/h1-2,8,11-12,15,17-18,22H,3-7,9-10,13-14H2,(H,23,28)(H,24,29)(H,25,26)/t17-,18+/m1/s1
InChIKeyRCEWGJPQYNQMLO-MSOLQXFVSA-N
XLogP1.46
TPSA105.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide (CID 171911339) is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide is O=C(C[C@H]1CC[C@@H](CNC(=O)c2ccc[nH]2)N1CC1CC1)NCCc1cn[nH]c1.
What is the InChIKey of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RCEWGJPQYNQMLO-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H30N6O2/c28-20(23-9-7-16-11-25-26-12-16)10-17-5-6-18(27(17)14-15-3-4-15)13-24-21(29)19-2-1-8-22-19/h1-2,8,11-12,15,17-18,22H,3-7,9-10,13-14H2,(H,23,28)(H,24,29)(H,25,26)/t17-,18+/m1/s1.
What are the key properties of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.46, 10 rotatable bonds, 4 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-4-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 171911339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).