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

C17H17ClN6O — CID 166395027

IUPAC2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SMILESNCc1nn2c(c1C(=O)Nc1ccn(-c3ccc(Cl)cc3)n1)CCC2
InChIInChI=1S/C17H17ClN6O/c18-11-3-5-12(6-4-11)23-9-7-15(22-23)20-17(25)16-13(10-19)21-24-8-1-2-14(16)24/h3-7,9H,1-2,8,10,19H2,(H,20,22,25)
InChIKeyVTFFBPLKRBNAAZ-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.38
Rot. Bonds4

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

2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide (PubChem CID 166395027) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
PubChem CID166395027
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC Name2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SMILESNCc1nn2c(c1C(=O)Nc1ccn(-c3ccc(Cl)cc3)n1)CCC2
InChIInChI=1S/C17H17ClN6O/c18-11-3-5-12(6-4-11)23-9-7-15(22-23)20-17(25)16-13(10-19)21-24-8-1-2-14(16)24/h3-7,9H,1-2,8,10,19H2,(H,20,22,25)
InChIKeyVTFFBPLKRBNAAZ-UHFFFAOYSA-N
XLogP2.38
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide (CID 166395027) is 2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide is NCc1nn2c(c1C(=O)Nc1ccn(-c3ccc(Cl)cc3)n1)CCC2.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The InChIKey is VTFFBPLKRBNAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c18-11-3-5-12(6-4-11)23-9-7-15(22-23)20-17(25)16-13(10-19)21-24-8-1-2-14(16)24/h3-7,9H,1-2,8,10,19H2,(H,20,22,25).
What are the key properties of 2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide has a molecular weight of 356.82 g/mol, XLogP of 2.38, 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-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide is sourced from PubChem (CID 166395027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).