N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C20H19N5O2 — CID 19513852

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H19N5O2/c1-13-16(14(2)25(24-13)15-7-4-3-5-8-15)12-21-20(26)18-11-17(22-23-18)19-9-6-10-27-19/h3-11H,12H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyMFDNABPNHXUSCN-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.40
Rot. Bonds5

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 19513852) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID19513852
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H19N5O2/c1-13-16(14(2)25(24-13)15-7-4-3-5-8-15)12-21-20(26)18-11-17(22-23-18)19-9-6-10-27-19/h3-11H,12H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyMFDNABPNHXUSCN-UHFFFAOYSA-N
XLogP3.40
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 90506581
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide
CID 75455335
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481238
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514464
5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 110908938
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 27882833
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 35555970
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
1-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]isoquinoline-3-carboxamide
CID 55668901
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 19513852) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is MFDNABPNHXUSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-16(14(2)25(24-13)15-7-4-3-5-8-15)12-21-20(26)18-11-17(22-23-18)19-9-6-10-27-19/h3-11H,12H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19513852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).