N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide

C13H15N3O — CID 156802697

IUPACN-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide
SMILESCc1n[nH]c(C)c1-c1ccc(CNC=O)cc1
InChIInChI=1S/C13H15N3O/c1-9-13(10(2)16-15-9)12-5-3-11(4-6-12)7-14-8-17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeySZINFOGAJFISDC-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.94
Rot. Bonds4

About N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide

N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide (PubChem CID 156802697) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide
PubChem CID156802697
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide
SMILESCc1n[nH]c(C)c1-c1ccc(CNC=O)cc1
InChIInChI=1S/C13H15N3O/c1-9-13(10(2)16-15-9)12-5-3-11(4-6-12)7-14-8-17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeySZINFOGAJFISDC-UHFFFAOYSA-N
XLogP1.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide?
The IUPAC name of N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide (CID 156802697) is N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide.
What is the SMILES notation for N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide?
The canonical SMILES for N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide is Cc1n[nH]c(C)c1-c1ccc(CNC=O)cc1.
What is the InChIKey of N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide?
The InChIKey is SZINFOGAJFISDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-13(10(2)16-15-9)12-5-3-11(4-6-12)7-14-8-17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide?
N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide has a molecular weight of 229.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide is sourced from PubChem (CID 156802697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).