N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide

C18H23N3O2 — CID 46105247

IUPACN-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide
SMILESCCCn1nc(-c2ccccc2OC)cc1C(=O)NCC1CC1
InChIInChI=1S/C18H23N3O2/c1-3-10-21-16(18(22)19-12-13-8-9-13)11-15(20-21)14-6-4-5-7-17(14)23-2/h4-7,11,13H,3,8-10,12H2,1-2H3,(H,19,22)
InChIKeySBQINDGIOVGNOX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.11
Rot. Bonds7

About N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide

N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide (PubChem CID 46105247) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide
PubChem CID46105247
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide
SMILESCCCn1nc(-c2ccccc2OC)cc1C(=O)NCC1CC1
InChIInChI=1S/C18H23N3O2/c1-3-10-21-16(18(22)19-12-13-8-9-13)11-15(20-21)14-6-4-5-7-17(14)23-2/h4-7,11,13H,3,8-10,12H2,1-2H3,(H,19,22)
InChIKeySBQINDGIOVGNOX-UHFFFAOYSA-N
XLogP3.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide (CID 46105247) is N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide is CCCn1nc(-c2ccccc2OC)cc1C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide?
The InChIKey is SBQINDGIOVGNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-10-21-16(18(22)19-12-13-8-9-13)11-15(20-21)14-6-4-5-7-17(14)23-2/h4-7,11,13H,3,8-10,12H2,1-2H3,(H,19,22).
What are the key properties of N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide?
N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide is sourced from PubChem (CID 46105247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).