(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

C16H21N5O — CID 94120791

IUPAC(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCC[C@H]2c2ccncc2)cn1
InChIInChI=1S/C16H21N5O/c1-20-12-13(11-19-20)4-9-18-16(22)21-10-2-3-15(21)14-5-7-17-8-6-14/h5-8,11-12,15H,2-4,9-10H2,1H3,(H,18,22)/t15-/m0/s1
InChIKeyWINRXEROJAUJPB-HNNXBMFYSA-N
MW299.38 g/mol
LogP1.90
Rot. Bonds4

About (2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 94120791) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID94120791
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCC[C@H]2c2ccncc2)cn1
InChIInChI=1S/C16H21N5O/c1-20-12-13(11-19-20)4-9-18-16(22)21-10-2-3-15(21)14-5-7-17-8-6-14/h5-8,11-12,15H,2-4,9-10H2,1H3,(H,18,22)/t15-/m0/s1
InChIKeyWINRXEROJAUJPB-HNNXBMFYSA-N
XLogP1.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 94121216
N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 47022403
(2S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52521085
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide
CID 136521769
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87003227
2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 138994487
2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 51084887
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 55922732
methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 124616958
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87000351
N-[(6-methoxy-3-pyridinyl)methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87003003
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 94120791) is (2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is Cn1cc(CCNC(=O)N2CCC[C@H]2c2ccncc2)cn1.
What is the InChIKey of (2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is WINRXEROJAUJPB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20-12-13(11-19-20)4-9-18-16(22)21-10-2-3-15(21)14-5-7-17-8-6-14/h5-8,11-12,15H,2-4,9-10H2,1H3,(H,18,22)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94120791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).