4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide

C12H16ClN5O — CID 19263448

IUPAC4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2cnn(CC)c2C)n1
InChIInChI=1S/C12H16ClN5O/c1-4-17-7-9(13)11(16-17)12(19)15-10-6-14-18(5-2)8(10)3/h6-7H,4-5H2,1-3H3,(H,15,19)
InChIKeyZMZSHGPCJFVBII-UHFFFAOYSA-N
MW281.75 g/mol
LogP2.33
Rot. Bonds4

About 4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide

4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide (PubChem CID 19263448) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
PubChem CID19263448
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2cnn(CC)c2C)n1
InChIInChI=1S/C12H16ClN5O/c1-4-17-7-9(13)11(16-17)12(19)15-10-6-14-18(5-2)8(10)3/h6-7H,4-5H2,1-3H3,(H,15,19)
InChIKeyZMZSHGPCJFVBII-UHFFFAOYSA-N
XLogP2.33
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide
CID 35522358
1-ethyl-4-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 4772267
N-(1-ethyl-5-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 19262605
4-chloro-1-ethyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263499
N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 19264018
methyl 4-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748175
4-chloro-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19337852
ethyl 5-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19263477
3-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5241864
4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 35522426
methyl 4-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19263773
4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19263479

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide (CID 19263448) is 4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2cnn(CC)c2C)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide?
The InChIKey is ZMZSHGPCJFVBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-4-17-7-9(13)11(16-17)12(19)15-10-6-14-18(5-2)8(10)3/h6-7H,4-5H2,1-3H3,(H,15,19).
What are the key properties of 4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide has a molecular weight of 281.75 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 19263448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).