N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide

C16H20N4O2 — CID 176931109

IUPACN-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(OCc3cn[nH]c3)cc2)C1
InChIInChI=1S/C16H20N4O2/c1-17-16(21)14-9-20(10-14)8-12-2-4-15(5-3-12)22-11-13-6-18-19-7-13/h2-7,14H,8-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyIFUGDCXICSUESC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.17
Rot. Bonds6

About N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide

N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide (PubChem CID 176931109) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide
PubChem CID176931109
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(OCc3cn[nH]c3)cc2)C1
InChIInChI=1S/C16H20N4O2/c1-17-16(21)14-9-20(10-14)8-12-2-4-15(5-3-12)22-11-13-6-18-19-7-13/h2-7,14H,8-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyIFUGDCXICSUESC-UHFFFAOYSA-N
XLogP1.17
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide (CID 176931109) is N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide is CNC(=O)C1CN(Cc2ccc(OCc3cn[nH]c3)cc2)C1.
What is the InChIKey of N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide?
The InChIKey is IFUGDCXICSUESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-17-16(21)14-9-20(10-14)8-12-2-4-15(5-3-12)22-11-13-6-18-19-7-13/h2-7,14H,8-11H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide?
N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 176931109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).