N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

C17H21N3O2 — CID 19509722

IUPACN-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC3CCCCC3)[nH]n2)c1
InChIInChI=1S/C17H21N3O2/c1-22-14-9-5-6-12(10-14)15-11-16(20-19-15)17(21)18-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyCGESNNGSTDHMTF-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.15
Rot. Bonds4

About N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509722) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19509722
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC3CCCCC3)[nH]n2)c1
InChIInChI=1S/C17H21N3O2/c1-22-14-9-5-6-12(10-14)15-11-16(20-19-15)17(21)18-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyCGESNNGSTDHMTF-UHFFFAOYSA-N
XLogP3.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 4266674
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 136587613
N-(2,3-dihydro-1-benzofuran-3-yl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 126802489
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70770906
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121120033
N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide
CID 136655088
3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
CID 90544593
(4-aminopiperidin-1-yl)-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 66485063
1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea
CID 5076844
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19509722) is N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NC3CCCCC3)[nH]n2)c1.
What is the InChIKey of N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is CGESNNGSTDHMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-22-14-9-5-6-12(10-14)15-11-16(20-19-15)17(21)18-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).