1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide

C22H31N3O2 — CID 42818108

IUPAC1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide
SMILESCCCc1nn(-c2ccc(C)cc2)c(CCC)c1C(=O)NCC1CCCO1
InChIInChI=1S/C22H31N3O2/c1-4-7-19-21(22(26)23-15-18-9-6-14-27-18)20(8-5-2)25(24-19)17-12-10-16(3)11-13-17/h10-13,18H,4-9,14-15H2,1-3H3,(H,23,26)
InChIKeyNLOKINZSYQIECF-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.99
Rot. Bonds8

About 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide

1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide (PubChem CID 42818108) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide
PubChem CID42818108
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide
SMILESCCCc1nn(-c2ccc(C)cc2)c(CCC)c1C(=O)NCC1CCCO1
InChIInChI=1S/C22H31N3O2/c1-4-7-19-21(22(26)23-15-18-9-6-14-27-18)20(8-5-2)25(24-19)17-12-10-16(3)11-13-17/h10-13,18H,4-9,14-15H2,1-3H3,(H,23,26)
InChIKeyNLOKINZSYQIECF-UHFFFAOYSA-N
XLogP3.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42820183
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 30823116
1-(4-methoxyphenyl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 83285028
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44762278
1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide
CID 42818218
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92873032
3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 94074574
3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 94074573
1-(3-methylphenyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42820453
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide (CID 42818108) is 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide is CCCc1nn(-c2ccc(C)cc2)c(CCC)c1C(=O)NCC1CCCO1.
What is the InChIKey of 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide?
The InChIKey is NLOKINZSYQIECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-4-7-19-21(22(26)23-15-18-9-6-14-27-18)20(8-5-2)25(24-19)17-12-10-16(3)11-13-17/h10-13,18H,4-9,14-15H2,1-3H3,(H,23,26).
What are the key properties of 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide?
1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide is sourced from PubChem (CID 42818108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).