N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide

C18H26N4O — CID 39954880

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccn(-c2ccccc2)n1)C(C)C
InChIInChI=1S/C18H26N4O/c1-14(2)21(15(3)4)13-11-19-18(23)17-10-12-22(20-17)16-8-6-5-7-9-16/h5-10,12,14-15H,11,13H2,1-4H3,(H,19,23)
InChIKeyLCFDLWHSQQMKPA-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.72
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 39954880) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
PubChem CID39954880
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccn(-c2ccccc2)n1)C(C)C
InChIInChI=1S/C18H26N4O/c1-14(2)21(15(3)4)13-11-19-18(23)17-10-12-22(20-17)16-8-6-5-7-9-16/h5-10,12,14-15H,11,13H2,1-4H3,(H,19,23)
InChIKeyLCFDLWHSQQMKPA-UHFFFAOYSA-N
XLogP2.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 46478570
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 95322595
1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide
CID 39943724
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782
1-(4-aminophenyl)-N-(3-methylbutyl)pyrazole-3-carboxamide
CID 43475362
(2S)-4-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119362167
N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119588721
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide (CID 39954880) is N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide is CC(C)N(CCNC(=O)c1ccn(-c2ccccc2)n1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is LCFDLWHSQQMKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(2)21(15(3)4)13-11-19-18(23)17-10-12-22(20-17)16-8-6-5-7-9-16/h5-10,12,14-15H,11,13H2,1-4H3,(H,19,23).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 39954880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).