N-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide

C17H23N3O — CID 118695937

IUPACN-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCCCCC(CC)N(C(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-3-5-9-14(4-2)20(15-10-7-6-8-11-15)17(21)16-12-13-18-19-16/h6-8,10-14H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyOOLFNAXPQRUOHK-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.03
Rot. Bonds7

About N-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide

N-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 118695937) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide
PubChem CID118695937
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCCCCC(CC)N(C(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-3-5-9-14(4-2)20(15-10-7-6-8-11-15)17(21)16-12-13-18-19-16/h6-8,10-14H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyOOLFNAXPQRUOHK-UHFFFAOYSA-N
XLogP4.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-ethyl-N-(1H-pyrazol-5-yl)hexanamide
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N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide
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pentan-3-yl(pyridin-3-yl)carbamic acid
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N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide (CID 118695937) is N-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide is CCCCC(CC)N(C(=O)c1ccn[nH]1)c1ccccc1.
What is the InChIKey of N-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is OOLFNAXPQRUOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-5-9-14(4-2)20(15-10-7-6-8-11-15)17(21)16-12-13-18-19-16/h6-8,10-14H,3-5,9H2,1-2H3,(H,18,19).
What are the key properties of N-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide?
N-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-N-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118695937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).