1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide

C14H16N6O — CID 71192893

IUPAC1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide
SMILESNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1
InChIInChI=1S/C14H16N6O/c15-13(21)10-2-3-12-11(8-10)9-19-20(12)7-1-4-16-14-17-5-6-18-14/h2-3,5-6,8-9H,1,4,7H2,(H2,15,21)(H2,16,17,18)
InChIKeyPIWRCCBALUFZTH-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.36
Rot. Bonds6

About 1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide

1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide (PubChem CID 71192893) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide
PubChem CID71192893
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide
SMILESNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1
InChIInChI=1S/C14H16N6O/c15-13(21)10-2-3-12-11(8-10)9-19-20(12)7-1-4-16-14-17-5-6-18-14/h2-3,5-6,8-9H,1,4,7H2,(H2,15,21)(H2,16,17,18)
InChIKeyPIWRCCBALUFZTH-UHFFFAOYSA-N
XLogP1.36
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide?
The IUPAC name of 1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide (CID 71192893) is 1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide.
What is the SMILES notation for 1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide?
The canonical SMILES for 1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide is NC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1.
What is the InChIKey of 1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide?
The InChIKey is PIWRCCBALUFZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-13(21)10-2-3-12-11(8-10)9-19-20(12)7-1-4-16-14-17-5-6-18-14/h2-3,5-6,8-9H,1,4,7H2,(H2,15,21)(H2,16,17,18).
What are the key properties of 1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide?
1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide is sourced from PubChem (CID 71192893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).