5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide

C20H31N5O3 — CID 171386730

IUPAC5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCN1[C@@H](CC(=O)NC2CCOCC2)CC[C@H]1CNC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H31N5O3/c1-25-15(10-19(26)22-14-6-8-28-9-7-14)4-5-16(25)12-21-20(27)18-11-17(23-24-18)13-2-3-13/h11,13-16H,2-10,12H2,1H3,(H,21,27)(H,22,26)(H,23,24)/t15-,16+/m1/s1
InChIKeyUQJFRUAJMYOJPW-CVEARBPZSA-N
MW389.50 g/mol
LogP1.16
Rot. Bonds7

About 5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 171386730) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID171386730
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCN1[C@@H](CC(=O)NC2CCOCC2)CC[C@H]1CNC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H31N5O3/c1-25-15(10-19(26)22-14-6-8-28-9-7-14)4-5-16(25)12-21-20(27)18-11-17(23-24-18)13-2-3-13/h11,13-16H,2-10,12H2,1H3,(H,21,27)(H,22,26)(H,23,24)/t15-,16+/m1/s1
InChIKeyUQJFRUAJMYOJPW-CVEARBPZSA-N
XLogP1.16
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

5-(difluoromethyl)-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 165425531
N-cyclopropyl-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide
CID 166264435
5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide
CID 42959789
5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389
5-cyclopropyl-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119500515
5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119510443
5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 20918125
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 171389752
N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 112708128
N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119495448
5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
CID 47158112
5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119430091

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide (CID 171386730) is 5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide is CN1[C@@H](CC(=O)NC2CCOCC2)CC[C@H]1CNC(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is UQJFRUAJMYOJPW-CVEARBPZSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-25-15(10-19(26)22-14-6-8-28-9-7-14)4-5-16(25)12-21-20(27)18-11-17(23-24-18)13-2-3-13/h11,13-16H,2-10,12H2,1H3,(H,21,27)(H,22,26)(H,23,24)/t15-,16+/m1/s1.
What are the key properties of 5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 171386730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).