(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate

C18H19ClN4O2 — CID 60554109

IUPAC(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate
SMILESCc1cnn(CCC(=O)OCc2c(C)nn(-c3ccccc3)c2Cl)c1
InChIInChI=1S/C18H19ClN4O2/c1-13-10-20-22(11-13)9-8-17(24)25-12-16-14(2)21-23(18(16)19)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyBCJXIEKBRWZOAK-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.47
Rot. Bonds6

About (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate (PubChem CID 60554109) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate
PubChem CID60554109
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate
SMILESCc1cnn(CCC(=O)OCc2c(C)nn(-c3ccccc3)c2Cl)c1
InChIInChI=1S/C18H19ClN4O2/c1-13-10-20-22(11-13)9-8-17(24)25-12-16-14(2)21-23(18(16)19)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyBCJXIEKBRWZOAK-UHFFFAOYSA-N
XLogP3.47
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
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CID 9194177
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 34415892
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-(hydroxymethyl)benzoate
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3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 34702117
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl quinoline-2-carboxylate
CID 27677382
(3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate
CID 60562435
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 8002860
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate
CID 46606272
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 35492628
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate?
The IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate (CID 60554109) is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate.
What is the SMILES notation for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate?
The canonical SMILES for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate is Cc1cnn(CCC(=O)OCc2c(C)nn(-c3ccccc3)c2Cl)c1.
What is the InChIKey of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate?
The InChIKey is BCJXIEKBRWZOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-13-10-20-22(11-13)9-8-17(24)25-12-16-14(2)21-23(18(16)19)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate?
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate has a molecular weight of 358.83 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate is sourced from PubChem (CID 60554109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).