2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide

C20H22N4O2 — CID 136554370

IUPAC2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cc(OC(C)c2ccccc2)ccn1
InChIInChI=1S/C20H22N4O2/c1-4-24-18(12-14(2)23-24)20(25)22-19-13-17(10-11-21-19)26-15(3)16-8-6-5-7-9-16/h5-13,15H,4H2,1-3H3,(H,21,22,25)
InChIKeyQWJDAKCUAWYLBM-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.00
Rot. Bonds6

About 2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 136554370) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID136554370
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cc(OC(C)c2ccccc2)ccn1
InChIInChI=1S/C20H22N4O2/c1-4-24-18(12-14(2)23-24)20(25)22-19-13-17(10-11-21-19)26-15(3)16-8-6-5-7-9-16/h5-13,15H,4H2,1-3H3,(H,21,22,25)
InChIKeyQWJDAKCUAWYLBM-UHFFFAOYSA-N
XLogP4.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-1-phenylethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114300222
2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide
CID 123556874
3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415859
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
CID 52904190
2-ethyl-5-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 71983834
N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 107595898
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 62732888
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide
CID 91774287
2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide
CID 96539646
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750940
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methoxypropanoic acid
CID 81077130

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide (CID 136554370) is 2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1cc(OC(C)c2ccccc2)ccn1.
What is the InChIKey of 2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is QWJDAKCUAWYLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-24-18(12-14(2)23-24)20(25)22-19-13-17(10-11-21-19)26-15(3)16-8-6-5-7-9-16/h5-13,15H,4H2,1-3H3,(H,21,22,25).
What are the key properties of 2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 136554370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).