1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride

C24H30Cl2N4O2 — CID 44568702

IUPAC1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCNCc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)ccc3OCC(C)C)n2)cc1.Cl
InChIInChI=1S/C24H29ClN4O2.ClH/c1-16(2)15-31-23-10-7-20(25)12-19(23)14-29-17(3)11-22(28-29)24(30)27-21-8-5-18(6-9-21)13-26-4;/h5-12,16,26H,13-15H2,1-4H3,(H,27,30);1H
InChIKeyNWDCTHGBQQCMAC-UHFFFAOYSA-N
MW477.44 g/mol
LogP5.32
Rot. Bonds9

About 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride

1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 44568702) has the molecular formula C24H30Cl2N4O2 and a molecular weight of 477.44 g/mol. Its IUPAC name is 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
PubChem CID44568702
Molecular FormulaC24H30Cl2N4O2
Molecular Weight477.44 g/mol
Exact Mass476.17
IUPAC Name1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCNCc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)ccc3OCC(C)C)n2)cc1.Cl
InChIInChI=1S/C24H29ClN4O2.ClH/c1-16(2)15-31-23-10-7-20(25)12-19(23)14-29-17(3)11-22(28-29)24(30)27-21-8-5-18(6-9-21)13-26-4;/h5-12,16,26H,13-15H2,1-4H3,(H,27,30);1H
InChIKeyNWDCTHGBQQCMAC-UHFFFAOYSA-N
XLogP5.32
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.44
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tolfenpyrad
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Sodium 1-({5-chloro-2-[(2-methylpropyl)oxy]phenyl}methyl)-5-methyl-1H-pyrazole-3-carboxylate
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CID 137640185
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
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Cfm-1571
CID 9844347
1-[(5-Chloro-2-{[(2,4-difluorophenyl)methyl]oxy}phenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 11383800
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CID 24783314
1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride (CID 44568702) is 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride is CNCc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)ccc3OCC(C)C)n2)cc1.Cl.
What is the InChIKey of 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is NWDCTHGBQQCMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2.ClH/c1-16(2)15-31-23-10-7-20(25)12-19(23)14-29-17(3)11-22(28-29)24(30)27-21-8-5-18(6-9-21)13-26-4;/h5-12,16,26H,13-15H2,1-4H3,(H,27,30);1H.
What are the key properties of 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride?
1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 477.44 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 44568702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).