1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine

C14H15N5 — CID 61285753

IUPAC1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc3ccccc3n2C2CC2)c1
InChIInChI=1S/C14H15N5/c15-10-7-16-18(8-10)9-14-17-12-3-1-2-4-13(12)19(14)11-5-6-11/h1-4,7-8,11H,5-6,9,15H2
InChIKeyIHHSDFQPAWLDCJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.20
Rot. Bonds3

About 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine

1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine (PubChem CID 61285753) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine
PubChem CID61285753
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc3ccccc3n2C2CC2)c1
InChIInChI=1S/C14H15N5/c15-10-7-16-18(8-10)9-14-17-12-3-1-2-4-13(12)19(14)11-5-6-11/h1-4,7-8,11H,5-6,9,15H2
InChIKeyIHHSDFQPAWLDCJ-UHFFFAOYSA-N
XLogP2.20
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine (CID 61285753) is 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine is Nc1cnn(Cc2nc3ccccc3n2C2CC2)c1.
What is the InChIKey of 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine?
The InChIKey is IHHSDFQPAWLDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-10-7-16-18(8-10)9-14-17-12-3-1-2-4-13(12)19(14)11-5-6-11/h1-4,7-8,11H,5-6,9,15H2.
What are the key properties of 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine?
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 61285753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).