N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide

C17H20FN3O — CID 47085609

IUPACN-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide
SMILESCc1cnn(CC2CC2)c1NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O/c1-12-10-19-21(11-14-2-3-14)17(12)20-16(22)9-6-13-4-7-15(18)8-5-13/h4-5,7-8,10,14H,2-3,6,9,11H2,1H3,(H,20,22)
InChIKeyIOZIPUFEWVXXKN-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.31
Rot. Bonds6

About N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide

N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide (PubChem CID 47085609) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide
PubChem CID47085609
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC NameN-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide
SMILESCc1cnn(CC2CC2)c1NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O/c1-12-10-19-21(11-14-2-3-14)17(12)20-16(22)9-6-13-4-7-15(18)8-5-13/h4-5,7-8,10,14H,2-3,6,9,11H2,1H3,(H,20,22)
InChIKeyIOZIPUFEWVXXKN-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide
CID 51098826
N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 134696922
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 95749422
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide
CID 51334598
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-(4-fluorophenyl)propanamide
CID 78806750
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
3-(4-fluorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)propanamide
CID 110734840
3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide
CID 169169304
ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate
CID 100648056
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
3-(4-fluorophenyl)-N-(2-methoxy-3-methylphenyl)propanamide
CID 71104305
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide
CID 134702201

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide (CID 47085609) is N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide is Cc1cnn(CC2CC2)c1NC(=O)CCc1ccc(F)cc1.
What is the InChIKey of N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide?
The InChIKey is IOZIPUFEWVXXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12-10-19-21(11-14-2-3-14)17(12)20-16(22)9-6-13-4-7-15(18)8-5-13/h4-5,7-8,10,14H,2-3,6,9,11H2,1H3,(H,20,22).
What are the key properties of N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide?
N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide has a molecular weight of 301.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 47085609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).