N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide

C15H17N3O — CID 19284488

IUPACN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)C3CC3)n2)cc1
InChIInChI=1S/C15H17N3O/c1-11-2-4-12(5-3-11)10-18-9-8-14(17-18)16-15(19)13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3,(H,16,17,19)
InChIKeyPDZYSDXILORCQX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.59
Rot. Bonds4

About N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide

N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 19284488) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID19284488
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)C3CC3)n2)cc1
InChIInChI=1S/C15H17N3O/c1-11-2-4-12(5-3-11)10-18-9-8-14(17-18)16-15(19)13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3,(H,16,17,19)
InChIKeyPDZYSDXILORCQX-UHFFFAOYSA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 4050906
3-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 3238232
1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 19284740
2-hydrazinyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-oxoacetamide
CID 4774828
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19285254
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19345252
2-[3-[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125154053
N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014338
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19284549

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide (CID 19284488) is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide is Cc1ccc(Cn2ccc(NC(=O)C3CC3)n2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is PDZYSDXILORCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-2-4-12(5-3-11)10-18-9-8-14(17-18)16-15(19)13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3,(H,16,17,19).
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 19284488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).