(3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide

C16H23N7O2 — CID 91923360

IUPAC(3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
SMILESCc1nc([C@@H]2CN(C(=O)CCc3c(C)n[nH]c3C)C[C@H]2C(N)=O)n[nH]1
InChIInChI=1S/C16H23N7O2/c1-8-11(9(2)20-19-8)4-5-14(24)23-6-12(15(17)25)13(7-23)16-18-10(3)21-22-16/h12-13H,4-7H2,1-3H3,(H2,17,25)(H,19,20)(H,18,21,22)/t12-,13-/m1/s1
InChIKeyJYUOEDQOYAADPC-CHWSQXEVSA-N
MW345.41 g/mol
LogP0.11
Rot. Bonds5

About (3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide

(3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide (PubChem CID 91923360) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is (3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
PubChem CID91923360
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name(3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
SMILESCc1nc([C@@H]2CN(C(=O)CCc3c(C)n[nH]c3C)C[C@H]2C(N)=O)n[nH]1
InChIInChI=1S/C16H23N7O2/c1-8-11(9(2)20-19-8)4-5-14(24)23-6-12(15(17)25)13(7-23)16-18-10(3)21-22-16/h12-13H,4-7H2,1-3H3,(H2,17,25)(H,19,20)(H,18,21,22)/t12-,13-/m1/s1
InChIKeyJYUOEDQOYAADPC-CHWSQXEVSA-N
XLogP0.11
TPSA133.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 53192209
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one
CID 126463770
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 50980404
N-({7-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}methyl)acetamide
CID 56701118
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 64510261
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 64511108
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64512545
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 64532011
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 64547718
1-[3-(3,4-dimethyl-1H-pyrazol-5-yl)propanoyl]-4-{[4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl]methyl}piperidine
CID 70782387
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(2-methylpropyl)-1H-1,2,4-triazol-5-yl]propanamide
CID 71700555
N-[3-(2-cyclopentylethyl)-1H-1,2,4-triazol-5-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 71704386

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide (CID 91923360) is (3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide is Cc1nc([C@@H]2CN(C(=O)CCc3c(C)n[nH]c3C)C[C@H]2C(N)=O)n[nH]1.
What is the InChIKey of (3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is JYUOEDQOYAADPC-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-8-11(9(2)20-19-8)4-5-14(24)23-6-12(15(17)25)13(7-23)16-18-10(3)21-22-16/h12-13H,4-7H2,1-3H3,(H2,17,25)(H,19,20)(H,18,21,22)/t12-,13-/m1/s1.
What are the key properties of (3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
(3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91923360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).