1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide

C12H15F2N5O — CID 19264135

IUPAC1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2ccn(C(F)F)n2)n1
InChIInChI=1S/C12H15F2N5O/c1-3-18-6-4-9(16-18)8(2)15-11(20)10-5-7-19(17-10)12(13)14/h4-8,12H,3H2,1-2H3,(H,15,20)
InChIKeyUHOJNDZWFOSJSM-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.99
Rot. Bonds5

About 1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 19264135) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
PubChem CID19264135
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2ccn(C(F)F)n2)n1
InChIInChI=1S/C12H15F2N5O/c1-3-18-6-4-9(16-18)8(2)15-11(20)10-5-7-19(17-10)12(13)14/h4-8,12H,3H2,1-2H3,(H,15,20)
InChIKeyUHOJNDZWFOSJSM-UHFFFAOYSA-N
XLogP1.99
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4772979
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 17020976
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide
CID 53537648
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779547
3-isobutyl-1-methyl-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-1H-pyrazole-5-carboxamide
CID 70779406
5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 95857377

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide (CID 19264135) is 1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide is CCn1ccc(C(C)NC(=O)c2ccn(C(F)F)n2)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is UHOJNDZWFOSJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-3-18-6-4-9(16-18)8(2)15-11(20)10-5-7-19(17-10)12(13)14/h4-8,12H,3H2,1-2H3,(H,15,20).
What are the key properties of 1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19264135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).