N-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

C18H21N5O2 — CID 70712811

IUPACN-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCC(C)n3ccnc3)[nH]n2)c1
InChIInChI=1S/C18H21N5O2/c1-13(23-9-8-19-12-23)6-7-20-18(24)17-11-16(21-22-17)14-4-3-5-15(10-14)25-2/h3-5,8-13H,6-7H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyFFFCEAQYXYFDRO-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.66
Rot. Bonds7

About N-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 70712811) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID70712811
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCC(C)n3ccnc3)[nH]n2)c1
InChIInChI=1S/C18H21N5O2/c1-13(23-9-8-19-12-23)6-7-20-18(24)17-11-16(21-22-17)14-4-3-5-15(10-14)25-2/h3-5,8-13H,6-7H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyFFFCEAQYXYFDRO-UHFFFAOYSA-N
XLogP2.66
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 70712811) is N-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCCC(C)n3ccnc3)[nH]n2)c1.
What is the InChIKey of N-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FFFCEAQYXYFDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13(23-9-8-19-12-23)6-7-20-18(24)17-11-16(21-22-17)14-4-3-5-15(10-14)25-2/h3-5,8-13H,6-7H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylbutyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70712811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).