(3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

C14H17N5O2 — CID 120943030

IUPAC(3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCn1cc([C@H]2CNC[C@@H]2C(=O)Nc2ncccc2O)cn1
InChIInChI=1S/C14H17N5O2/c1-19-8-9(5-17-19)10-6-15-7-11(10)14(21)18-13-12(20)3-2-4-16-13/h2-5,8,10-11,15,20H,6-7H2,1H3,(H,16,18,21)/t10-,11+/m1/s1
InChIKeyLCFPTCUIPBTVKM-MNOVXSKESA-N
MW287.32 g/mol
LogP0.46
Rot. Bonds3

About (3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 120943030) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID120943030
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCn1cc([C@H]2CNC[C@@H]2C(=O)Nc2ncccc2O)cn1
InChIInChI=1S/C14H17N5O2/c1-19-8-9(5-17-19)10-6-15-7-11(10)14(21)18-13-12(20)3-2-4-16-13/h2-5,8,10-11,15,20H,6-7H2,1H3,(H,16,18,21)/t10-,11+/m1/s1
InChIKeyLCFPTCUIPBTVKM-MNOVXSKESA-N
XLogP0.46
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-quinolin-5-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 120937850
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 120939551
(3R,4S)-N-(3-acetamidophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917163
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120937737
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 120917621
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918020
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 120938492
(3R,4S)-N-(3,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917484
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917505
(3R,4S)-N-(4-ethoxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917018
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 120920283
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917504

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 120943030) is (3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is Cn1cc([C@H]2CNC[C@@H]2C(=O)Nc2ncccc2O)cn1.
What is the InChIKey of (3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is LCFPTCUIPBTVKM-MNOVXSKESA-N. The full InChI is InChI=1S/C14H17N5O2/c1-19-8-9(5-17-19)10-6-15-7-11(10)14(21)18-13-12(20)3-2-4-16-13/h2-5,8,10-11,15,20H,6-7H2,1H3,(H,16,18,21)/t10-,11+/m1/s1.
What are the key properties of (3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120943030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).