3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide

C18H25N3O2 — CID 42758721

IUPAC3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2cccc(OC)c2)nn1C
InChIInChI=1S/C18H25N3O2/c1-5-10-21(11-6-2)18(22)17-13-16(19-20(17)3)14-8-7-9-15(12-14)23-4/h7-9,12-13H,5-6,10-11H2,1-4H3
InChIKeyOGVLQIPCIOGTJT-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.36
Rot. Bonds7

About 3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide

3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide (PubChem CID 42758721) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide
PubChem CID42758721
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2cccc(OC)c2)nn1C
InChIInChI=1S/C18H25N3O2/c1-5-10-21(11-6-2)18(22)17-13-16(19-20(17)3)14-8-7-9-15(12-14)23-4/h7-9,12-13H,5-6,10-11H2,1-4H3
InChIKeyOGVLQIPCIOGTJT-UHFFFAOYSA-N
XLogP3.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide (CID 42758721) is 3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide is CCCN(CCC)C(=O)c1cc(-c2cccc(OC)c2)nn1C.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide?
The InChIKey is OGVLQIPCIOGTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-10-21(11-6-2)18(22)17-13-16(19-20(17)3)14-8-7-9-15(12-14)23-4/h7-9,12-13H,5-6,10-11H2,1-4H3.
What are the key properties of 3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide?
3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide is sourced from PubChem (CID 42758721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).