N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C21H21N5O2 — CID 146145690

IUPACN-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C)n(-c2cccc(CNC(=O)c3cc(-c4ccc(C)o4)[nH]n3)c2)n1
InChIInChI=1S/C21H21N5O2/c1-13-9-14(2)26(25-13)17-6-4-5-16(10-17)12-22-21(27)19-11-18(23-24-19)20-8-7-15(3)28-20/h4-11H,12H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyMUEUINXJXRWNBJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.71
Rot. Bonds5

About N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 146145690) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID146145690
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C)n(-c2cccc(CNC(=O)c3cc(-c4ccc(C)o4)[nH]n3)c2)n1
InChIInChI=1S/C21H21N5O2/c1-13-9-14(2)26(25-13)17-6-4-5-16(10-17)12-22-21(27)19-11-18(23-24-19)20-8-7-15(3)28-20/h4-11H,12H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyMUEUINXJXRWNBJ-UHFFFAOYSA-N
XLogP3.71
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 146123246
5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 112829139
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 74246934
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 146122551
5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 70775870
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 112828910
N-[(5-bromothiophen-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829365
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 162646082
5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 112829886

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 146145690) is N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1cc(C)n(-c2cccc(CNC(=O)c3cc(-c4ccc(C)o4)[nH]n3)c2)n1.
What is the InChIKey of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is MUEUINXJXRWNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-9-14(2)26(25-13)17-6-4-5-16(10-17)12-22-21(27)19-11-18(23-24-19)20-8-7-15(3)28-20/h4-11H,12H2,1-3H3,(H,22,27)(H,23,24).
What are the key properties of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 146145690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).