N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide

C19H22N4O3 — CID 51251063

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C19H22N4O3/c1-22(2)15(16-10-7-11-26-16)12-20-19(24)18-17(25-3)13-23(21-18)14-8-5-4-6-9-14/h4-11,13,15H,12H2,1-3H3,(H,20,24)
InChIKeyGBKHQYSQKINZGU-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.51
Rot. Bonds7

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 51251063) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID51251063
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C19H22N4O3/c1-22(2)15(16-10-7-11-26-16)12-20-19(24)18-17(25-3)13-23(21-18)14-8-5-4-6-9-14/h4-11,13,15H,12H2,1-3H3,(H,20,24)
InChIKeyGBKHQYSQKINZGU-UHFFFAOYSA-N
XLogP2.51
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 32632343
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48672285
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 41453426
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 41102946
5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87002077
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992218
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 51251063) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is GBKHQYSQKINZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22(2)15(16-10-7-11-26-16)12-20-19(24)18-17(25-3)13-23(21-18)14-8-5-4-6-9-14/h4-11,13,15H,12H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51251063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).