(1-benzyl-5-cyclopropylpyrazol-4-yl)methanol

C14H16N2O — CID 66438332

IUPAC(1-benzyl-5-cyclopropylpyrazol-4-yl)methanol
SMILESOCc1cnn(Cc2ccccc2)c1C1CC1
InChIInChI=1S/C14H16N2O/c17-10-13-8-15-16(14(13)12-6-7-12)9-11-4-2-1-3-5-11/h1-5,8,12,17H,6-7,9-10H2
InChIKeyUMUCANDFFODVLH-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.30
Rot. Bonds4

About (1-benzyl-5-cyclopropylpyrazol-4-yl)methanol

(1-benzyl-5-cyclopropylpyrazol-4-yl)methanol (PubChem CID 66438332) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (1-benzyl-5-cyclopropylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-5-cyclopropylpyrazol-4-yl)methanol
PubChem CID66438332
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(1-benzyl-5-cyclopropylpyrazol-4-yl)methanol
SMILESOCc1cnn(Cc2ccccc2)c1C1CC1
InChIInChI=1S/C14H16N2O/c17-10-13-8-15-16(14(13)12-6-7-12)9-11-4-2-1-3-5-11/h1-5,8,12,17H,6-7,9-10H2
InChIKeyUMUCANDFFODVLH-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol
CID 66437255
N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine
CID 66442704
N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66440894
[5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol
CID 66437251
4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66438813
2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one
CID 169129055
(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol
CID 66436592
N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 66441513
5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxylic acid
CID 63275359
[(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol
CID 51596198
[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
CID 66438989
[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115068523

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-cyclopropylpyrazol-4-yl)methanol?
The IUPAC name of (1-benzyl-5-cyclopropylpyrazol-4-yl)methanol (CID 66438332) is (1-benzyl-5-cyclopropylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-benzyl-5-cyclopropylpyrazol-4-yl)methanol?
The canonical SMILES for (1-benzyl-5-cyclopropylpyrazol-4-yl)methanol is OCc1cnn(Cc2ccccc2)c1C1CC1.
What is the InChIKey of (1-benzyl-5-cyclopropylpyrazol-4-yl)methanol?
The InChIKey is UMUCANDFFODVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-10-13-8-15-16(14(13)12-6-7-12)9-11-4-2-1-3-5-11/h1-5,8,12,17H,6-7,9-10H2.
What are the key properties of (1-benzyl-5-cyclopropylpyrazol-4-yl)methanol?
(1-benzyl-5-cyclopropylpyrazol-4-yl)methanol has a molecular weight of 228.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-cyclopropylpyrazol-4-yl)methanol is sourced from PubChem (CID 66438332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).