N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide

C14H18N4O — CID 43596560

IUPACN-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCNC1CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H18N4O/c19-14(16-9-3-8-15-10-6-7-10)13-11-4-1-2-5-12(11)17-18-13/h1-2,4-5,10,15H,3,6-9H2,(H,16,19)(H,17,18)
InChIKeySNWVHJCXUBPCJS-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.43
Rot. Bonds6

About N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide

N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide (PubChem CID 43596560) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
PubChem CID43596560
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCNC1CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H18N4O/c19-14(16-9-3-8-15-10-6-7-10)13-11-4-1-2-5-12(11)17-18-13/h1-2,4-5,10,15H,3,6-9H2,(H,16,19)(H,17,18)
InChIKeySNWVHJCXUBPCJS-UHFFFAOYSA-N
XLogP1.43
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119621235
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
N-(2-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 60735601
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide
CID 51105768
N-[2-(4-methylcyclohexyl)ethyl]-1H-indazole-3-carboxamide
CID 64982746
N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
CID 41277760
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119452366
N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119394197
N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide
CID 170858443
N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide
CID 60598282
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide (CID 43596560) is N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide is O=C(NCCCNC1CC1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide?
The InChIKey is SNWVHJCXUBPCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14(16-9-3-8-15-10-6-7-10)13-11-4-1-2-5-12(11)17-18-13/h1-2,4-5,10,15H,3,6-9H2,(H,16,19)(H,17,18).
What are the key properties of N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide?
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 43596560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).