1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide

C17H29N3O2 — CID 110008342

IUPAC1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2(CO)CCCC2)nn1C(C)(C)C
InChIInChI=1S/C17H29N3O2/c1-12(2)14-10-13(19-20(14)16(3,4)5)15(22)18-17(11-21)8-6-7-9-17/h10,12,21H,6-9,11H2,1-5H3,(H,18,22)
InChIKeyBOZGHQARDIWHCS-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.80
Rot. Bonds4

About 1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide

1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 110008342) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID110008342
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2(CO)CCCC2)nn1C(C)(C)C
InChIInChI=1S/C17H29N3O2/c1-12(2)14-10-13(19-20(14)16(3,4)5)15(22)18-17(11-21)8-6-7-9-17/h10,12,21H,6-9,11H2,1-5H3,(H,18,22)
InChIKeyBOZGHQARDIWHCS-UHFFFAOYSA-N
XLogP2.80
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-[(4-hydroxyoxan-4-yl)methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 111486221
1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926302
1-tert-butyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 47056037
N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119566977
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55082531
N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide
CID 103881180
1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide
CID 47055350
1-tert-butyl-N-[(2-fluorophenyl)methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 46486795
1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide
CID 56503498
N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 113344802
1-tert-butyl-5-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
CID 55930523
1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 87012220

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide (CID 110008342) is 1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide is CC(C)c1cc(C(=O)NC2(CO)CCCC2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is BOZGHQARDIWHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(2)14-10-13(19-20(14)16(3,4)5)15(22)18-17(11-21)8-6-7-9-17/h10,12,21H,6-9,11H2,1-5H3,(H,18,22).
What are the key properties of 1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide?
1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 110008342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).