(5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone

C14H17N3O — CID 110471175

IUPAC(5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone
SMILESCC(C)(C)c1cc(N)n(C(=O)c2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-14(2,3)11-9-12(15)17(16-11)13(18)10-7-5-4-6-8-10/h4-9H,15H2,1-3H3
InChIKeyZUYQTCWDPJTXLS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.45
Rot. Bonds1

About (5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone

(5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone (PubChem CID 110471175) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone
PubChem CID110471175
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone
SMILESCC(C)(C)c1cc(N)n(C(=O)c2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-14(2,3)11-9-12(15)17(16-11)13(18)10-7-5-4-6-8-10/h4-9H,15H2,1-3H3
InChIKeyZUYQTCWDPJTXLS-UHFFFAOYSA-N
XLogP2.45
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone
CID 110472979
(5-amino-3-tert-butylpyrazol-1-yl)-(3,4-difluorophenyl)methanone
CID 110473057
4-(5-amino-3-tert-butylpyrazol-1-yl)-4-oxobutanoic acid
CID 110471047
2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid
CID 141134718
1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 110472851
3-tert-butyl-1-phenylpyrazol-5-amine;ethane
CID 143140261
2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid
CID 102354192
(5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone
CID 110462579
2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid
CID 102354188
(5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone
CID 110462429
1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine
CID 11207245
5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide
CID 130424443

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone?
The IUPAC name of (5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone (CID 110471175) is (5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone.
What is the SMILES notation for (5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone?
The canonical SMILES for (5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone is CC(C)(C)c1cc(N)n(C(=O)c2ccccc2)n1.
What is the InChIKey of (5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone?
The InChIKey is ZUYQTCWDPJTXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,3)11-9-12(15)17(16-11)13(18)10-7-5-4-6-8-10/h4-9H,15H2,1-3H3.
What are the key properties of (5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone?
(5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone has a molecular weight of 243.31 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone is sourced from PubChem (CID 110471175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).