3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide

C25H30N4O — CID 18207609

IUPAC3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30N4O/c1-3-28(4-2)24(20-11-7-5-8-12-20)18-26-25(30)23-17-22(19-15-16-19)27-29(23)21-13-9-6-10-14-21/h5-14,17,19,24H,3-4,15-16,18H2,1-2H3,(H,26,30)
InChIKeyCOUBMYMKBBZDFT-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.56
Rot. Bonds9

About 3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 18207609) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide
PubChem CID18207609
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30N4O/c1-3-28(4-2)24(20-11-7-5-8-12-20)18-26-25(30)23-17-22(19-15-16-19)27-29(23)21-13-9-6-10-14-21/h5-14,17,19,24H,3-4,15-16,18H2,1-2H3,(H,26,30)
InChIKeyCOUBMYMKBBZDFT-UHFFFAOYSA-N
XLogP4.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
CID 9291418
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CID 9406513
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766
3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide
CID 31205411
3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide
CID 43019758
3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide
CID 71709246
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 9398113
3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18161045

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide (CID 18207609) is 3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide is CCN(CC)C(CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is COUBMYMKBBZDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-3-28(4-2)24(20-11-7-5-8-12-20)18-26-25(30)23-17-22(19-15-16-19)27-29(23)21-13-9-6-10-14-21/h5-14,17,19,24H,3-4,15-16,18H2,1-2H3,(H,26,30).
What are the key properties of 3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 18207609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).