(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate

C13H18ClN5O2 — CID 66125387

IUPAC(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(COC(=O)c2c(N)c(C)nn2C)c1Cl
InChIInChI=1S/C13H18ClN5O2/c1-5-8-10(14)9(18(3)17-8)6-21-13(20)12-11(15)7(2)16-19(12)4/h5-6,15H2,1-4H3
InChIKeyHVATVHUCENOGHU-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.62
Rot. Bonds4

About (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate

(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 66125387) has the molecular formula C13H18ClN5O2 and a molecular weight of 311.77 g/mol. Its IUPAC name is (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Name(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
PubChem CID66125387
Molecular FormulaC13H18ClN5O2
Molecular Weight311.77 g/mol
Exact Mass311.11
IUPAC Name(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(COC(=O)c2c(N)c(C)nn2C)c1Cl
InChIInChI=1S/C13H18ClN5O2/c1-5-8-10(14)9(18(3)17-8)6-21-13(20)12-11(15)7(2)16-19(12)4/h5-6,15H2,1-4H3
InChIKeyHVATVHUCENOGHU-UHFFFAOYSA-N
XLogP1.62
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66124995
2,2-difluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66125010
(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66118684
(3-bromothiophen-2-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66116783
2-amino-5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoic acid
CID 107076819
(4-chloro-1,3-dimethylpyrazol-5-yl)methyl 4-amino-3-methoxybenzoate
CID 104784217
(4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 114348591
2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 114015226
5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117835
[2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117841
ethyl 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyltriazole-4-carboxylate
CID 103105174

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate (CID 66125387) is (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate is CCc1nn(C)c(COC(=O)c2c(N)c(C)nn2C)c1Cl.
What is the InChIKey of (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is HVATVHUCENOGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O2/c1-5-8-10(14)9(18(3)17-8)6-21-13(20)12-11(15)7(2)16-19(12)4/h5-6,15H2,1-4H3.
What are the key properties of (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 311.77 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 66125387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).