N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide

C19H26N4O — CID 119655718

IUPACN-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C19H26N4O/c1-19(2,12-20)13-22(3)18(24)16-11-21-23(17(16)14-9-10-14)15-7-5-4-6-8-15/h4-8,11,14H,9-10,12-13,20H2,1-3H3
InChIKeyHADGKJRMDJYSIG-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.81
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 119655718) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID119655718
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C19H26N4O/c1-19(2,12-20)13-22(3)18(24)16-11-21-23(17(16)14-9-10-14)15-7-5-4-6-8-15/h4-8,11,14H,9-10,12-13,20H2,1-3H3
InChIKeyHADGKJRMDJYSIG-UHFFFAOYSA-N
XLogP2.81
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide (CID 119655718) is N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide is CN(CC(C)(C)CN)C(=O)c1cnn(-c2ccccc2)c1C1CC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is HADGKJRMDJYSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-19(2,12-20)13-22(3)18(24)16-11-21-23(17(16)14-9-10-14)15-7-5-4-6-8-15/h4-8,11,14H,9-10,12-13,20H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 119655718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).