(3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide

C16H23N7O — CID 126439088

IUPAC(3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n([C@@H]2CCN(C(=O)NCc3nnc4n3CCC4)C2)n1
InChIInChI=1S/C16H23N7O/c1-11-8-12(2)23(20-11)13-5-7-21(10-13)16(24)17-9-15-19-18-14-4-3-6-22(14)15/h8,13H,3-7,9-10H2,1-2H3,(H,17,24)/t13-/m1/s1
InChIKeyUDMDKAZJIFKISK-CYBMUJFWSA-N
MW329.41 g/mol
LogP1.19
Rot. Bonds3

About (3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide

(3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 126439088) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is (3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide
PubChem CID126439088
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name(3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n([C@@H]2CCN(C(=O)NCc3nnc4n3CCC4)C2)n1
InChIInChI=1S/C16H23N7O/c1-11-8-12(2)23(20-11)13-5-7-21(10-13)16(24)17-9-15-19-18-14-4-3-6-22(14)15/h8,13H,3-7,9-10H2,1-2H3,(H,17,24)/t13-/m1/s1
InChIKeyUDMDKAZJIFKISK-CYBMUJFWSA-N
XLogP1.19
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide with MolForge

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Related Compounds

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143013
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 119142627
2-(cyclopropylmethylsulfanyl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 97142971
[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 96576599
3-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 131893713
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(4-methylphenyl)urea
CID 17469528
N-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 70766606
1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 91771971
1-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 131909953
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide
CID 131916562
2-(1,3-benzothiazol-2-ylamino)-1-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 70731369
(3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97122457

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide (CID 126439088) is (3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide is Cc1cc(C)n([C@@H]2CCN(C(=O)NCc3nnc4n3CCC4)C2)n1.
What is the InChIKey of (3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is UDMDKAZJIFKISK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N7O/c1-11-8-12(2)23(20-11)13-5-7-21(10-13)16(24)17-9-15-19-18-14-4-3-6-22(14)15/h8,13H,3-7,9-10H2,1-2H3,(H,17,24)/t13-/m1/s1.
What are the key properties of (3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide?
(3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126439088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).