2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

C17H18N6O — CID 166395026

IUPAC2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SMILESNCc1nn2c(c1C(=O)Nc1ccn(-c3ccccc3)n1)CCC2
InChIInChI=1S/C17H18N6O/c18-11-13-16(14-7-4-9-23(14)20-13)17(24)19-15-8-10-22(21-15)12-5-2-1-3-6-12/h1-3,5-6,8,10H,4,7,9,11,18H2,(H,19,21,24)
InChIKeyRELMBDJYMGUUCC-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.73
Rot. Bonds4

About 2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide (PubChem CID 166395026) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
PubChem CID166395026
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SMILESNCc1nn2c(c1C(=O)Nc1ccn(-c3ccccc3)n1)CCC2
InChIInChI=1S/C17H18N6O/c18-11-13-16(14-7-4-9-23(14)20-13)17(24)19-15-8-10-22(21-15)12-5-2-1-3-6-12/h1-3,5-6,8,10H,4,7,9,11,18H2,(H,19,21,24)
InChIKeyRELMBDJYMGUUCC-UHFFFAOYSA-N
XLogP1.73
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
CID 166395027
2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
CID 167791292
2-(aminomethyl)-N-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
CID 166363200
CID 154652808
CID 154652808
2-(aminomethyl)-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166291547
3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 110470740
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55548513
phenyl N-(1-phenylpyrazol-3-yl)carbamate
CID 110472459
N-(1-phenylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 135315885
2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide
CID 47021837
1-(1-phenylpyrazol-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 53499346
2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536773

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide (CID 166395026) is 2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide is NCc1nn2c(c1C(=O)Nc1ccn(-c3ccccc3)n1)CCC2.
What is the InChIKey of 2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The InChIKey is RELMBDJYMGUUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c18-11-13-16(14-7-4-9-23(14)20-13)17(24)19-15-8-10-22(21-15)12-5-2-1-3-6-12/h1-3,5-6,8,10H,4,7,9,11,18H2,(H,19,21,24).
What are the key properties of 2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-phenylpyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide is sourced from PubChem (CID 166395026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).