N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C15H25N3O — CID 9166018

IUPACN-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H25N3O/c1-11-14(12(2)18-17-11)9-10-15(19)16-13-7-5-3-4-6-8-13/h13H,3-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHTNBHJHPAGZDKB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.80
Rot. Bonds4

About N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 9166018) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID9166018
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H25N3O/c1-11-14(12(2)18-17-11)9-10-15(19)16-13-7-5-3-4-6-8-13/h13H,3-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHTNBHJHPAGZDKB-UHFFFAOYSA-N
XLogP2.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 9166018) is N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1n[nH]c(C)c1CCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is HTNBHJHPAGZDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-14(12(2)18-17-11)9-10-15(19)16-13-7-5-3-4-6-8-13/h13H,3-10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 9166018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).