(5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone

C14H16ClN3O — CID 110472979

IUPAC(5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone
SMILESCC(C)(C)c1cc(N)n(C(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-14(2,3)11-8-12(16)18(17-11)13(19)9-6-4-5-7-10(9)15/h4-8H,16H2,1-3H3
InChIKeyYRPGIYZHUNBJEY-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.10
Rot. Bonds1

About (5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone

(5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone (PubChem CID 110472979) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is (5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone
PubChem CID110472979
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name(5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone
SMILESCC(C)(C)c1cc(N)n(C(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-14(2,3)11-8-12(16)18(17-11)13(19)9-6-4-5-7-10(9)15/h4-8H,16H2,1-3H3
InChIKeyYRPGIYZHUNBJEY-UHFFFAOYSA-N
XLogP3.10
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone
CID 110471175
(5-amino-3-tert-butylpyrazol-1-yl)-(3,4-difluorophenyl)methanone
CID 110473057
2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid
CID 141134718
4-(5-amino-3-tert-butylpyrazol-1-yl)-4-oxobutanoic acid
CID 110471047
(5-amino-3-methylpyrazol-1-yl)-(2-aminophenyl)methanone
CID 110465642
1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 110472851
3-tert-butyl-1-phenylpyrazol-5-amine;ethane
CID 143140261
(5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 140701373
3-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylbenzoic acid;hydrochloride
CID 69113717
2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 42733244
2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid
CID 102354192
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
CID 46088066

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone?
The IUPAC name of (5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone (CID 110472979) is (5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone?
The canonical SMILES for (5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone is CC(C)(C)c1cc(N)n(C(=O)c2ccccc2Cl)n1.
What is the InChIKey of (5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone?
The InChIKey is YRPGIYZHUNBJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-14(2,3)11-8-12(16)18(17-11)13(19)9-6-4-5-7-10(9)15/h4-8H,16H2,1-3H3.
What are the key properties of (5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone?
(5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone has a molecular weight of 277.75 g/mol, XLogP of 3.10, 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)-(2-chlorophenyl)methanone is sourced from PubChem (CID 110472979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).