N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide

C10H17N3O — CID 123922362

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C10H17N3O/c1-7(14)11-6-8-5-9(13-12-8)10(2,3)4/h5H,6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyGOJUPJDMSBFXBR-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.34
Rot. Bonds2

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 123922362) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide
PubChem CID123922362
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C10H17N3O/c1-7(14)11-6-8-5-9(13-12-8)10(2,3)4/h5H,6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyGOJUPJDMSBFXBR-UHFFFAOYSA-N
XLogP1.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

((5-tert-butyl-1H-pyrazol-3-yl)methyl)(methyl)amine
CID 44236865
1-(5-Cyclopropyl-1H-pyrazol-3-YL)-N-methylmethanamine
CID 44236867
3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one
CID 29253571
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N'-cyclopentyl-N-methylsuccinamide
CID 50968242
2-azepan-1-yl-N-({1-[(3-methyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl}methyl)acetamide
CID 56719190
3-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 72001651
[(5-tert-butyl-1H-pyrazol-3-yl)methyl]methylamine dihydrochloride
CID 44236864
N-cyclopentyl-3-isopropyl-1H-pyrazole-5-carboxamide
CID 47245095
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 50968757
3-Tert-butyl-N-(propan-2-YL)-1H-pyrazole-5-carboxamide
CID 53017377
1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea
CID 56806120
(1R)-2,2-dichloro-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 95623459

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide (CID 123922362) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide is CC(=O)NCc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide?
The InChIKey is GOJUPJDMSBFXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(14)11-6-8-5-9(13-12-8)10(2,3)4/h5H,6H2,1-4H3,(H,11,14)(H,12,13).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 195.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 123922362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).