(1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate

C21H20ClN5O3 — CID 89469732

IUPAC(1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate
SMILESCOc1cc(Cl)ccc1-c1cc(NC(=O)OCc2ccc3c(cnn3C)c2)nn1C
InChIInChI=1S/C21H20ClN5O3/c1-26-17-7-4-13(8-14(17)11-23-26)12-30-21(28)24-20-10-18(27(2)25-20)16-6-5-15(22)9-19(16)29-3/h4-11H,12H2,1-3H3,(H,24,25,28)
InChIKeyLVKRPLXIVJJFKR-UHFFFAOYSA-N
MW425.88 g/mol
LogP4.38
Rot. Bonds5

About (1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate

(1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate (PubChem CID 89469732) has the molecular formula C21H20ClN5O3 and a molecular weight of 425.88 g/mol. Its IUPAC name is (1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Name(1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate
PubChem CID89469732
Molecular FormulaC21H20ClN5O3
Molecular Weight425.88 g/mol
Exact Mass425.13
IUPAC Name(1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate
SMILESCOc1cc(Cl)ccc1-c1cc(NC(=O)OCc2ccc3c(cnn3C)c2)nn1C
InChIInChI=1S/C21H20ClN5O3/c1-26-17-7-4-13(8-14(17)11-23-26)12-30-21(28)24-20-10-18(27(2)25-20)16-6-5-15(22)9-19(16)29-3/h4-11H,12H2,1-3H3,(H,24,25,28)
InChIKeyLVKRPLXIVJJFKR-UHFFFAOYSA-N
XLogP4.38
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate
CID 159407168
(1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89469506
(1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate
CID 89460035
benzyl N-(1-methylindazol-5-yl)carbamate
CID 69411375
(1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate
CID 89469741
(1-methylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1,4-dimethylpyrazol-5-yl]acetate
CID 158690856
(1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate
CID 158481307
[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1,3-benzoxazol-6-yl)carbamate
CID 89459716
2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide
CID 175548410
[5-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-3-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
CID 89459791
(4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate
CID 4643203
(2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate
CID 157263641

Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate?
The IUPAC name of (1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate (CID 89469732) is (1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for (1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate?
The canonical SMILES for (1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate is COc1cc(Cl)ccc1-c1cc(NC(=O)OCc2ccc3c(cnn3C)c2)nn1C.
What is the InChIKey of (1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate?
The InChIKey is LVKRPLXIVJJFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3/c1-26-17-7-4-13(8-14(17)11-23-26)12-30-21(28)24-20-10-18(27(2)25-20)16-6-5-15(22)9-19(16)29-3/h4-11H,12H2,1-3H3,(H,24,25,28).
What are the key properties of (1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate?
(1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate has a molecular weight of 425.88 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 89469732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).