N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide

C15H26N4O — CID 81482919

IUPACN-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCNC2CCCCCC2)cnn1C
InChIInChI=1S/C15H26N4O/c1-12-14(11-18-19(12)2)15(20)17-10-9-16-13-7-5-3-4-6-8-13/h11,13,16H,3-10H2,1-2H3,(H,17,20)
InChIKeyTXZWVGGNMZEZRN-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.77
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide

N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 81482919) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID81482919
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCNC2CCCCCC2)cnn1C
InChIInChI=1S/C15H26N4O/c1-12-14(11-18-19(12)2)15(20)17-10-9-16-13-7-5-3-4-6-8-13/h11,13,16H,3-10H2,1-2H3,(H,17,20)
InChIKeyTXZWVGGNMZEZRN-UHFFFAOYSA-N
XLogP1.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 115306447
N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 66187230
N-[(1R)-1-cyclohexylpropyl]-1,5-dimethylpyrazole-4-carboxamide
CID 95288937
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818934
N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 115306432
N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide
CID 81483390
N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 106737336
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 115702967
N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107322076
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
CID 19473967
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide (CID 81482919) is N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NCCNC2CCCCCC2)cnn1C.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is TXZWVGGNMZEZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-14(11-18-19(12)2)15(20)17-10-9-16-13-7-5-3-4-6-8-13/h11,13,16H,3-10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 81482919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).