4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide

C23H26N4O2 — CID 9171561

IUPAC4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C23H26N4O2/c1-29-21-17-27(20-11-3-2-4-12-20)25-22(21)23(28)24-15-18-9-5-6-10-19(18)16-26-13-7-8-14-26/h2-6,9-12,17H,7-8,13-16H2,1H3,(H,24,28)
InChIKeyLOHFULXVZHGKGE-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.41
Rot. Bonds7

About 4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide

4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 9171561) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID9171561
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C23H26N4O2/c1-29-21-17-27(20-11-3-2-4-12-20)25-22(21)23(28)24-15-18-9-5-6-10-19(18)16-26-13-7-8-14-26/h2-6,9-12,17H,7-8,13-16H2,1H3,(H,24,28)
InChIKeyLOHFULXVZHGKGE-UHFFFAOYSA-N
XLogP3.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide (CID 9171561) is 4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1CN1CCCC1.
What is the InChIKey of 4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is LOHFULXVZHGKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-21-17-27(20-11-3-2-4-12-20)25-22(21)23(28)24-15-18-9-5-6-10-19(18)16-26-13-7-8-14-26/h2-6,9-12,17H,7-8,13-16H2,1H3,(H,24,28).
What are the key properties of 4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide?
4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 9171561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).