1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide

C18H25N3O2 — CID 110891716

IUPAC1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NC(CC)CO)cnn1Cc1ccccc1
InChIInChI=1S/C18H25N3O2/c1-3-8-17-16(18(23)20-15(4-2)13-22)11-19-21(17)12-14-9-6-5-7-10-14/h5-7,9-11,15,22H,3-4,8,12-13H2,1-2H3,(H,20,23)
InChIKeyCPFCPRMBBPETLQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.38
Rot. Bonds8

About 1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide

1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide (PubChem CID 110891716) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide
PubChem CID110891716
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NC(CC)CO)cnn1Cc1ccccc1
InChIInChI=1S/C18H25N3O2/c1-3-8-17-16(18(23)20-15(4-2)13-22)11-19-21(17)12-14-9-6-5-7-10-14/h5-7,9-11,15,22H,3-4,8,12-13H2,1-2H3,(H,20,23)
InChIKeyCPFCPRMBBPETLQ-UHFFFAOYSA-N
XLogP2.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
CID 110890160
1-benzyl-N-(1-hydroxybutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 110886300
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896
1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 78874296
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110892499
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 112827142
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 166237556
ethyl 1-[(4-chlorophenyl)methyl]-5-propylpyrazole-4-carboxylate
CID 63278765

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide (CID 110891716) is 1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)NC(CC)CO)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide?
The InChIKey is CPFCPRMBBPETLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-8-17-16(18(23)20-15(4-2)13-22)11-19-21(17)12-14-9-6-5-7-10-14/h5-7,9-11,15,22H,3-4,8,12-13H2,1-2H3,(H,20,23).
What are the key properties of 1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide?
1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 110891716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).