N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide

C12H19N3O — CID 134796011

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
SMILESCn1nc(C2CC2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C12H19N3O/c1-12(2,3)11(16)13-10-7-9(8-5-6-8)14-15(10)4/h7-8H,5-6H2,1-4H3,(H,13,16)
InChIKeyCWXHCZXJPAQKCS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.28
Rot. Bonds2

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide (PubChem CID 134796011) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
PubChem CID134796011
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
SMILESCn1nc(C2CC2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C12H19N3O/c1-12(2,3)11(16)13-10-7-9(8-5-6-8)14-15(10)4/h7-8H,5-6H2,1-4H3,(H,13,16)
InChIKeyCWXHCZXJPAQKCS-UHFFFAOYSA-N
XLogP2.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide
CID 5330972
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-isopropylpyrimidin-4(3H)-one
CID 135984534
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1H-pyrazol-5-yl)-3-methylbutanamide
CID 136253212
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroqui
CID 136253213
N-(3-cyclopropyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclopropanecarboxamide
CID 135892053
N-(3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135892137
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-propylpyrimidin-4(3H)-one
CID 135984533
2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162645681
1-Butyl-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
CID 2811754
US10118930, Example 26
CID 137018653
6-tert-butyl-1H,2H,3H-pyrazolo[1,5-a]imidazol-2-one
CID 135741967
N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 49217836

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide (CID 134796011) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide is Cn1nc(C2CC2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide?
The InChIKey is CWXHCZXJPAQKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)11(16)13-10-7-9(8-5-6-8)14-15(10)4/h7-8H,5-6H2,1-4H3,(H,13,16).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 134796011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).