(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium

C19H20Cl2N3+ — CID 8598898

IUPAC(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium
SMILESCc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H](C)c1ccccc1Cl
InChIInChI=1S/C19H19Cl2N3/c1-13(16-10-6-7-11-18(16)20)22-12-17-14(2)23-24(19(17)21)15-8-4-3-5-9-15/h3-11,13,22H,12H2,1-2H3/p+1/t13-/m1/s1
InChIKeyXMCYUUALKRZNNC-CYBMUJFWSA-O
MW361.30 g/mol
LogP4.31
Rot. Bonds5

About (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium (PubChem CID 8598898) has the molecular formula C19H20Cl2N3+ and a molecular weight of 361.30 g/mol. Its IUPAC name is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium.

Molecular Properties

Compound Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium
PubChem CID8598898
Molecular FormulaC19H20Cl2N3+
Molecular Weight361.30 g/mol
Exact Mass360.10
IUPAC Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium
SMILESCc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H](C)c1ccccc1Cl
InChIInChI=1S/C19H19Cl2N3/c1-13(16-10-6-7-11-18(16)20)22-12-17-14(2)23-24(19(17)21)15-8-4-3-5-9-15/h3-11,13,22H,12H2,1-2H3/p+1/t13-/m1/s1
InChIKeyXMCYUUALKRZNNC-CYBMUJFWSA-O
XLogP4.31
TPSA34.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1-(2,4-difluorophenyl)ethanamine
CID 8688723
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590
5-chloro-4-[(3,4-dichlorophenyl)methylsulfonylmethyl]-3-methyl-1-phenylpyrazole
CID 52635080
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 111449274
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole
CID 34943650
2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1-oxidopyridin-1-ium
CID 18292228
[4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol
CID 102580261
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide
CID 1124684
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole
CID 78881099
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 86870595
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine
CID 699347

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium?
The IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium (CID 8598898) is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium.
What is the SMILES notation for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium?
The canonical SMILES for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium is Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H](C)c1ccccc1Cl.
What is the InChIKey of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium?
The InChIKey is XMCYUUALKRZNNC-CYBMUJFWSA-O. The full InChI is InChI=1S/C19H19Cl2N3/c1-13(16-10-6-7-11-18(16)20)22-12-17-14(2)23-24(19(17)21)15-8-4-3-5-9-15/h3-11,13,22H,12H2,1-2H3/p+1/t13-/m1/s1.
What are the key properties of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium?
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium has a molecular weight of 361.30 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(1R)-1-(2-chlorophenyl)ethyl]azanium is sourced from PubChem (CID 8598898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).