N-cycloheptyl-2-pyrazol-1-ylpropanamide

C13H21N3O — CID 47156273

IUPACN-cycloheptyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NC1CCCCCC1)n1cccn1
InChIInChI=1S/C13H21N3O/c1-11(16-10-6-9-14-16)13(17)15-12-7-4-2-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3,(H,15,17)
InChIKeyBXHCAFPUGIPGIH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.28
Rot. Bonds3

About N-cycloheptyl-2-pyrazol-1-ylpropanamide

N-cycloheptyl-2-pyrazol-1-ylpropanamide (PubChem CID 47156273) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cycloheptyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-pyrazol-1-ylpropanamide
PubChem CID47156273
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cycloheptyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NC1CCCCCC1)n1cccn1
InChIInChI=1S/C13H21N3O/c1-11(16-10-6-9-14-16)13(17)15-12-7-4-2-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3,(H,15,17)
InChIKeyBXHCAFPUGIPGIH-UHFFFAOYSA-N
XLogP2.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide
CID 81424644
4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 93329821
N-piperidin-3-yl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119424500
methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate
CID 115617096
3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid
CID 126439290
(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 95134540
N-cyclohexyl-2-imidazol-1-ylpropanamide
CID 46458376
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
N-cyclopentyl-2-(3-methylpyrazol-1-yl)propanamide
CID 19534188
(2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide
CID 124507498
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide
CID 43593952
N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
CID 47156481

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-cycloheptyl-2-pyrazol-1-ylpropanamide (CID 47156273) is N-cycloheptyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-cycloheptyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-cycloheptyl-2-pyrazol-1-ylpropanamide is CC(C(=O)NC1CCCCCC1)n1cccn1.
What is the InChIKey of N-cycloheptyl-2-pyrazol-1-ylpropanamide?
The InChIKey is BXHCAFPUGIPGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(16-10-6-9-14-16)13(17)15-12-7-4-2-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3,(H,15,17).
What are the key properties of N-cycloheptyl-2-pyrazol-1-ylpropanamide?
N-cycloheptyl-2-pyrazol-1-ylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 47156273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).