1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

C20H29N3O2 — CID 70756597

IUPAC1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N(CCO)Cc1ccc(C)cc1
InChIInChI=1S/C20H29N3O2/c1-5-23-19(13-18(21-23)12-15(2)3)20(25)22(10-11-24)14-17-8-6-16(4)7-9-17/h6-9,13,15,24H,5,10-12,14H2,1-4H3
InChIKeyAXPKYZMHIWVKSW-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.04
Rot. Bonds8

About 1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70756597) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70756597
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N(CCO)Cc1ccc(C)cc1
InChIInChI=1S/C20H29N3O2/c1-5-23-19(13-18(21-23)12-15(2)3)20(25)22(10-11-24)14-17-8-6-16(4)7-9-17/h6-9,13,15,24H,5,10-12,14H2,1-4H3
InChIKeyAXPKYZMHIWVKSW-UHFFFAOYSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide
CID 72902050
N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565388
N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide
CID 66120277
2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide
CID 60619942
N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 60619816
1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 77092549
1,3-diethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-5-carboxamide
CID 66122171
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72864861
N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 66120211
1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131904122
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72880935
N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 77096489

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70756597) is 1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)N(CCO)Cc1ccc(C)cc1.
What is the InChIKey of 1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is AXPKYZMHIWVKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-23-19(13-18(21-23)12-15(2)3)20(25)22(10-11-24)14-17-8-6-16(4)7-9-17/h6-9,13,15,24H,5,10-12,14H2,1-4H3.
What are the key properties of 1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70756597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).