1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide

C21H30N4O — CID 87010988

IUPAC1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide
SMILESCN(C)CC(NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1
InChIInChI=1S/C21H30N4O/c1-21(2,3)25-19(16-11-12-16)13-17(23-25)20(26)22-18(14-24(4)5)15-9-7-6-8-10-15/h6-10,13,16,18H,11-12,14H2,1-5H3,(H,22,26)
InChIKeyCIZSOPPUUHOQCE-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.55
Rot. Bonds6

About 1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide (PubChem CID 87010988) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide
PubChem CID87010988
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide
SMILESCN(C)CC(NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1
InChIInChI=1S/C21H30N4O/c1-21(2,3)25-19(16-11-12-16)13-17(23-25)20(26)22-18(14-24(4)5)15-9-7-6-8-10-15/h6-10,13,16,18H,11-12,14H2,1-5H3,(H,22,26)
InChIKeyCIZSOPPUUHOQCE-UHFFFAOYSA-N
XLogP3.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543473
2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid
CID 119214078
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 55939941
methyl (3S)-3-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 52639900
N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride
CID 119495118
N-[2-(dimethylamino)-1-phenylethyl]-6-methylpyridine-2-carboxamide
CID 78845972
1-tert-butyl-5-cyclopropyl-N-[2-(ethylamino)ethyl]pyrazole-3-carboxamide
CID 119504913
1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide
CID 55834300
N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119474690
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride
CID 120603995
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119600843
1-tert-butyl-5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 111436087

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide (CID 87010988) is 1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide is CN(C)CC(NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide?
The InChIKey is CIZSOPPUUHOQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-21(2,3)25-19(16-11-12-16)13-17(23-25)20(26)22-18(14-24(4)5)15-9-7-6-8-10-15/h6-10,13,16,18H,11-12,14H2,1-5H3,(H,22,26).
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide?
1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 87010988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).