N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide

C20H28N4O — CID 75447494

IUPACN-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CCN3CC(C)C(C)C3)c2)nn1C
InChIInChI=1S/C20H28N4O/c1-14-12-24(13-15(14)2)9-8-17-6-5-7-18(11-17)21-20(25)19-10-16(3)23(4)22-19/h5-7,10-11,14-15H,8-9,12-13H2,1-4H3,(H,21,25)
InChIKeyWVMCYPTWPMWGHC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.11
Rot. Bonds5

About N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide

N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 75447494) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID75447494
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CCN3CC(C)C(C)C3)c2)nn1C
InChIInChI=1S/C20H28N4O/c1-14-12-24(13-15(14)2)9-8-17-6-5-7-18(11-17)21-20(25)19-10-16(3)23(4)22-19/h5-7,10-11,14-15H,8-9,12-13H2,1-4H3,(H,21,25)
InChIKeyWVMCYPTWPMWGHC-UHFFFAOYSA-N
XLogP3.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 119438262
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CID 75447914
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 120538133
N-(3,5-difluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 163344155
N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 113290195
N-(4-bromo-3-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110685830
1,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19279717
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 113263077
2-[3-[3-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]phenyl]phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 59190461
N-[3-(chloromethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
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N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35324488

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide (CID 75447494) is N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(CCN3CC(C)C(C)C3)c2)nn1C.
What is the InChIKey of N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is WVMCYPTWPMWGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14-12-24(13-15(14)2)9-8-17-6-5-7-18(11-17)21-20(25)19-10-16(3)23(4)22-19/h5-7,10-11,14-15H,8-9,12-13H2,1-4H3,(H,21,25).
What are the key properties of N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 75447494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).