N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide

C13H22N4O — CID 113283330

IUPACN-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1cn[nH]c1
InChIInChI=1S/C13H22N4O/c18-13(11-9-16-17-10-11)15-8-7-14-12-5-3-1-2-4-6-12/h9-10,12,14H,1-8H2,(H,15,18)(H,16,17)
InChIKeyZAFQKJYZRXIIKS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.45
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide

N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 113283330) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID113283330
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1cn[nH]c1
InChIInChI=1S/C13H22N4O/c18-13(11-9-16-17-10-11)15-8-7-14-12-5-3-1-2-4-6-12/h9-10,12,14H,1-8H2,(H,15,18)(H,16,17)
InChIKeyZAFQKJYZRXIIKS-UHFFFAOYSA-N
XLogP1.45
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.45
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-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide
CID 115306498
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119620220
N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide
CID 90789328
N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride
CID 119619715
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119620729
N-[2-(cycloheptylamino)ethyl]-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 119619170

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide (CID 113283330) is N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide is O=C(NCCNC1CCCCCC1)c1cn[nH]c1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZAFQKJYZRXIIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c18-13(11-9-16-17-10-11)15-8-7-14-12-5-3-1-2-4-6-12/h9-10,12,14H,1-8H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide?
N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113283330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).