N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide

C13H19N5O — CID 35535097

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NCc1cnn(CC)c1
InChIInChI=1S/C13H19N5O/c1-3-7-18-12(5-6-15-18)13(19)14-8-11-9-16-17(4-2)10-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,19)
InChIKeyLEUNBCBPHSMCHC-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.44
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide (PubChem CID 35535097) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide
PubChem CID35535097
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NCc1cnn(CC)c1
InChIInChI=1S/C13H19N5O/c1-3-7-18-12(5-6-15-18)13(19)14-8-11-9-16-17(4-2)10-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,19)
InChIKeyLEUNBCBPHSMCHC-UHFFFAOYSA-N
XLogP1.44
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
CID 35522331
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474824
N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261948
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19622220
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
2-propylpyrazole-3-carboxylic acid
CID 7017775
N-phenyl-2-propylpyrazole-3-carboxamide
CID 39891941
N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 19575699
N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19290726

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide (CID 35535097) is N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)NCc1cnn(CC)c1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide?
The InChIKey is LEUNBCBPHSMCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-7-18-12(5-6-15-18)13(19)14-8-11-9-16-17(4-2)10-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,19).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 35535097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).