N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide

C17H27N5O — CID 72874137

IUPACN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC(C)c2c(C)nn(CC)c2C)c(C)n1
InChIInChI=1S/C17H27N5O/c1-7-9-21-10-15(11(3)19-21)17(23)18-12(4)16-13(5)20-22(8-2)14(16)6/h10,12H,7-9H2,1-6H3,(H,18,23)
InChIKeyZGZNTTMKELYUKV-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.93
Rot. Bonds6

About N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 72874137) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide
PubChem CID72874137
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC(C)c2c(C)nn(CC)c2C)c(C)n1
InChIInChI=1S/C17H27N5O/c1-7-9-21-10-15(11(3)19-21)17(23)18-12(4)16-13(5)20-22(8-2)14(16)6/h10,12H,7-9H2,1-6H3,(H,18,23)
InChIKeyZGZNTTMKELYUKV-UHFFFAOYSA-N
XLogP2.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethyl-1H-pyrazol-4-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1235974
1-ethyl-4-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]amino}-1H-pyrazole-3-carboxamide
CID 4772788
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19398390
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 50979144
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-1,2,3-triazole-5-carboxamide
CID 56892131
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70712427
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72862716
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 168272756
N-(tert-butyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 42352825
(3,5-dimethyl-1H-pyrazol-1-yl)(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone
CID 19578885
N-(cyclobutylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 33381566

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide (CID 72874137) is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NC(C)c2c(C)nn(CC)c2C)c(C)n1.
What is the InChIKey of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is ZGZNTTMKELYUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-7-9-21-10-15(11(3)19-21)17(23)18-12(4)16-13(5)20-22(8-2)14(16)6/h10,12H,7-9H2,1-6H3,(H,18,23).
What are the key properties of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide?
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72874137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).