2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide

C21H23N5O2 — CID 92612941

IUPAC2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide
SMILESO=C(CN1CCC[C@@H]1Cn1cccn1)Nc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C21H23N5O2/c27-21(16-25-12-2-4-18(25)15-26-13-3-11-23-26)24-17-6-8-19(9-7-17)28-20-5-1-10-22-14-20/h1,3,5-11,13-14,18H,2,4,12,15-16H2,(H,24,27)/t18-/m1/s1
InChIKeyPFZYYJATAIBURG-GOSISDBHSA-N
MW377.45 g/mol
LogP3.17
Rot. Bonds7

About 2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide

2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide (PubChem CID 92612941) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide
PubChem CID92612941
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide
SMILESO=C(CN1CCC[C@@H]1Cn1cccn1)Nc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C21H23N5O2/c27-21(16-25-12-2-4-18(25)15-26-13-3-11-23-26)24-17-6-8-19(9-7-17)28-20-5-1-10-22-14-20/h1,3,5-11,13-14,18H,2,4,12,15-16H2,(H,24,27)/t18-/m1/s1
InChIKeyPFZYYJATAIBURG-GOSISDBHSA-N
XLogP3.17
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 56780407
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 46981076
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 46981073
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
CID 124755518
2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
CID 95609283
N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118793180
N-(4-bromophenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 97078137
(2S)-1-[(E)-2-methylbut-2-enyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42533238
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
CID 95308448
2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
CID 95609750
N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide?
The IUPAC name of 2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide (CID 92612941) is 2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide is O=C(CN1CCC[C@@H]1Cn1cccn1)Nc1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide?
The InChIKey is PFZYYJATAIBURG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-21(16-25-12-2-4-18(25)15-26-13-3-11-23-26)24-17-6-8-19(9-7-17)28-20-5-1-10-22-14-20/h1,3,5-11,13-14,18H,2,4,12,15-16H2,(H,24,27)/t18-/m1/s1.
What are the key properties of 2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide?
2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide has a molecular weight of 377.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide is sourced from PubChem (CID 92612941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).