N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

C14H17N5O2 — CID 110133232

IUPACN-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccncc2)C[C@H]1O)c1ccn[nH]1
InChIInChI=1S/C14H17N5O2/c20-13-9-19(7-10-1-4-15-5-2-10)8-12(13)17-14(21)11-3-6-16-18-11/h1-6,12-13,20H,7-9H2,(H,16,18)(H,17,21)/t12-,13-/m1/s1
InChIKeyQSAUJTKNTAQUGN-CHWSQXEVSA-N
MW287.32 g/mol
LogP-0.22
Rot. Bonds4

About N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 110133232) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID110133232
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccncc2)C[C@H]1O)c1ccn[nH]1
InChIInChI=1S/C14H17N5O2/c20-13-9-19(7-10-1-4-15-5-2-10)8-12(13)17-14(21)11-3-6-16-18-11/h1-6,12-13,20H,7-9H2,(H,16,18)(H,17,21)/t12-,13-/m1/s1
InChIKeyQSAUJTKNTAQUGN-CHWSQXEVSA-N
XLogP-0.22
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 110133226
(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
CID 143992061
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 60508500
1H-pyrazol-5-yl-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 86284090
N-(azetidin-3-yl)-1H-pyrazole-5-carboxamide
CID 66187687
N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133362
N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrazole-5-carboxamide
CID 59304482
N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133345
2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid
CID 110133279
N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133026
N-[(3S,4R)-4-cyclopropyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-3-methylsulfanylpropanamide
CID 133130563
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide
CID 91780512

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (CID 110133232) is N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is O=C(N[C@@H]1CN(Cc2ccncc2)C[C@H]1O)c1ccn[nH]1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is QSAUJTKNTAQUGN-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-13-9-19(7-10-1-4-15-5-2-10)8-12(13)17-14(21)11-3-6-16-18-11/h1-6,12-13,20H,7-9H2,(H,16,18)(H,17,21)/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110133232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).