4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide

C22H24N4O — CID 122570086

IUPAC4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccnc1)NC(=O)c1ccc(-c2cnn(CC3CC3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-16(11-18-3-2-10-23-12-18)25-22(27)20-8-6-19(7-9-20)21-13-24-26(15-21)14-17-4-5-17/h2-3,6-10,12-13,15-17H,4-5,11,14H2,1H3,(H,25,27)
InChIKeySCDJOTHHDLNXQR-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.72
Rot. Bonds7

About 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide

4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide (PubChem CID 122570086) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide
PubChem CID122570086
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccnc1)NC(=O)c1ccc(-c2cnn(CC3CC3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-16(11-18-3-2-10-23-12-18)25-22(27)20-8-6-19(7-9-20)21-13-24-26(15-21)14-17-4-5-17/h2-3,6-10,12-13,15-17H,4-5,11,14H2,1H3,(H,25,27)
InChIKeySCDJOTHHDLNXQR-UHFFFAOYSA-N
XLogP3.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(cyclopropylmethyl)pyrazol-4-yl]benzoic acid
CID 122555883
4-(2,4-dioxoimidazolidin-1-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
CID 97203237
2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide
CID 126443700
4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
CID 125440095
2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 90653792
6-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid
CID 172868753
1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166248647
2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol
CID 166637809
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817
2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 99927418
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55877942
N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide
CID 125177536

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide?
The IUPAC name of 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide (CID 122570086) is 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide is CC(Cc1cccnc1)NC(=O)c1ccc(-c2cnn(CC3CC3)c2)cc1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide?
The InChIKey is SCDJOTHHDLNXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16(11-18-3-2-10-23-12-18)25-22(27)20-8-6-19(7-9-20)21-13-24-26(15-21)14-17-4-5-17/h2-3,6-10,12-13,15-17H,4-5,11,14H2,1H3,(H,25,27).
What are the key properties of 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide?
4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide has a molecular weight of 360.46 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide is sourced from PubChem (CID 122570086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).