5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide

C20H19N3O2 — CID 46582218

IUPAC5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3cc(C4CC4)[nH]n3)cc2)c1
InChIInChI=1S/C20H19N3O2/c1-13-3-2-4-17(11-13)25-16-9-7-15(8-10-16)21-20(24)19-12-18(22-23-19)14-5-6-14/h2-4,7-12,14H,5-6H2,1H3,(H,21,24)(H,22,23)
InChIKeyBFTVPOZXLPDLHX-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.64
Rot. Bonds5

About 5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 46582218) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide
PubChem CID46582218
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3cc(C4CC4)[nH]n3)cc2)c1
InChIInChI=1S/C20H19N3O2/c1-13-3-2-4-17(11-13)25-16-9-7-15(8-10-16)21-20(24)19-12-18(22-23-19)14-5-6-14/h2-4,7-12,14H,5-6H2,1H3,(H,21,24)(H,22,23)
InChIKeyBFTVPOZXLPDLHX-UHFFFAOYSA-N
XLogP4.64
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate
CID 39191562
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 55678662
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 40654834
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 4139874
5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
CID 47158112
5-cyclopropyl-N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]-1H-pyrazole-3-carboxamide
CID 145039700
5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 37043755
5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154893001

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide (CID 46582218) is 5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide is Cc1cccc(Oc2ccc(NC(=O)c3cc(C4CC4)[nH]n3)cc2)c1.
What is the InChIKey of 5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is BFTVPOZXLPDLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-3-2-4-17(11-13)25-16-9-7-15(8-10-16)21-20(24)19-12-18(22-23-19)14-5-6-14/h2-4,7-12,14H,5-6H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46582218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).