N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide

C22H21N5O — CID 19281007

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cn1
InChIInChI=1S/C22H21N5O/c1-2-26-15-19(14-24-26)22(28)23-13-18-16-27(20-11-7-4-8-12-20)25-21(18)17-9-5-3-6-10-17/h3-12,14-16H,2,13H2,1H3,(H,23,28)
InChIKeyJFVNGFAHBCJSQJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.69
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide (PubChem CID 19281007) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
PubChem CID19281007
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cn1
InChIInChI=1S/C22H21N5O/c1-2-26-15-19(14-24-26)22(28)23-13-18-16-27(20-11-7-4-8-12-20)25-21(18)17-9-5-3-6-10-17/h3-12,14-16H,2,13H2,1H3,(H,23,28)
InChIKeyJFVNGFAHBCJSQJ-UHFFFAOYSA-N
XLogP3.69
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19325028
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518597
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281272
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
CID 42116246
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 46511717
3-(1,3-dioxoisoindol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19288807
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide
CID 24548704
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 19262748
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479833
(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19290323

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide (CID 19281007) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cn1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is JFVNGFAHBCJSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-2-26-15-19(14-24-26)22(28)23-13-18-16-27(20-11-7-4-8-12-20)25-21(18)17-9-5-3-6-10-17/h3-12,14-16H,2,13H2,1H3,(H,23,28).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 19281007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).