N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide

C23H28N4O2 — CID 51068741

IUPACN-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
SMILESCCc1nn(-c2ccccc2)c(N(C)C)c1CN(Cc1ccco1)C(=O)C1CC1
InChIInChI=1S/C23H28N4O2/c1-4-21-20(22(25(2)3)27(24-21)18-9-6-5-7-10-18)16-26(23(28)17-12-13-17)15-19-11-8-14-29-19/h5-11,14,17H,4,12-13,15-16H2,1-3H3
InChIKeyFMQPZCHYJJZRGP-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.03
Rot. Bonds8

About N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide

N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide (PubChem CID 51068741) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
PubChem CID51068741
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
SMILESCCc1nn(-c2ccccc2)c(N(C)C)c1CN(Cc1ccco1)C(=O)C1CC1
InChIInChI=1S/C23H28N4O2/c1-4-21-20(22(25(2)3)27(24-21)18-9-6-5-7-10-18)16-26(23(28)17-12-13-17)15-19-11-8-14-29-19/h5-11,14,17H,4,12-13,15-16H2,1-3H3
InChIKeyFMQPZCHYJJZRGP-UHFFFAOYSA-N
XLogP4.03
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-ethyl-1-(4-fluorophenyl)-5-phenoxypyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide
CID 51068632
N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 51068736
N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 51068752
N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42819182
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82323935
1-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]propan-2-ol
CID 46029413
N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 93135855
4-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673186
cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 124738294
N-[[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 93135881
(3R)-N,N-bis(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767497

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide (CID 51068741) is N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide is CCc1nn(-c2ccccc2)c(N(C)C)c1CN(Cc1ccco1)C(=O)C1CC1.
What is the InChIKey of N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide?
The InChIKey is FMQPZCHYJJZRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-21-20(22(25(2)3)27(24-21)18-9-6-5-7-10-18)16-26(23(28)17-12-13-17)15-19-11-8-14-29-19/h5-11,14,17H,4,12-13,15-16H2,1-3H3.
What are the key properties of N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide?
N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 51068741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).