1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide

C18H21Cl2N3O2 — CID 42818218

IUPAC1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NCC2CCCO2)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H21Cl2N3O2/c1-2-4-17-14(18(24)21-10-13-5-3-8-25-13)11-22-23(17)12-6-7-15(19)16(20)9-12/h6-7,9,11,13H,2-5,8,10H2,1H3,(H,21,24)
InChIKeyXVCSEQIHKYYQQB-UHFFFAOYSA-N
MW382.29 g/mol
LogP4.04
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide

1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide (PubChem CID 42818218) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide
PubChem CID42818218
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC Name1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NCC2CCCO2)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H21Cl2N3O2/c1-2-4-17-14(18(24)21-10-13-5-3-8-25-13)11-22-23(17)12-6-7-15(19)16(20)9-12/h6-7,9,11,13H,2-5,8,10H2,1H3,(H,21,24)
InChIKeyXVCSEQIHKYYQQB-UHFFFAOYSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 156601815
1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide
CID 42818108
1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 24712301
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119513306
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42818227
2-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 2967010
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide (CID 42818218) is 1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)NCC2CCCO2)cnn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide?
The InChIKey is XVCSEQIHKYYQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2/c1-2-4-17-14(18(24)21-10-13-5-3-8-25-13)11-22-23(17)12-6-7-15(19)16(20)9-12/h6-7,9,11,13H,2-5,8,10H2,1H3,(H,21,24).
What are the key properties of 1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide?
1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide has a molecular weight of 382.29 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 42818218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).