N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide

C15H26N4O — CID 81424644

IUPACN-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCCNC1CCCCCC1)n1cccn1
InChIInChI=1S/C15H26N4O/c1-13(19-12-6-9-18-19)15(20)17-11-10-16-14-7-4-2-3-5-8-14/h6,9,12-14,16H,2-5,7-8,10-11H2,1H3,(H,17,20)
InChIKeyDWVVQMMAOAUWDB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.87
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide

N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 81424644) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID81424644
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCCNC1CCCCCC1)n1cccn1
InChIInChI=1S/C15H26N4O/c1-13(19-12-6-9-18-19)15(20)17-11-10-16-14-7-4-2-3-5-8-14/h6,9,12-14,16H,2-5,7-8,10-11H2,1H3,(H,17,20)
InChIKeyDWVVQMMAOAUWDB-UHFFFAOYSA-N
XLogP1.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.87
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-cycloheptyl-2-pyrazol-1-ylpropanamide
CID 47156273
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 95134540
(2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide
CID 98752523
N-piperidin-3-yl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119424500
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
N-[2-(cycloheptylamino)ethyl]-2-cyclopropylpropanamide
CID 81482446
4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 93329821
3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid
CID 126439290
2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid
CID 62676010
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide (CID 81424644) is N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)NCCNC1CCCCCC1)n1cccn1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is DWVVQMMAOAUWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13(19-12-6-9-18-19)15(20)17-11-10-16-14-7-4-2-3-5-8-14/h6,9,12-14,16H,2-5,7-8,10-11H2,1H3,(H,17,20).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide?
N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 81424644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).