N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide

C14H18N4O — CID 62324592

IUPACN-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
SMILESCNC(=O)CCNCc1ccccc1-n1cccn1
InChIInChI=1S/C14H18N4O/c1-15-14(19)7-9-16-11-12-5-2-3-6-13(12)18-10-4-8-17-18/h2-6,8,10,16H,7,9,11H2,1H3,(H,15,19)
InChIKeyPJLYCTWRUIHANJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.10
Rot. Bonds6

About N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide

N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide (PubChem CID 62324592) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
PubChem CID62324592
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
SMILESCNC(=O)CCNCc1ccccc1-n1cccn1
InChIInChI=1S/C14H18N4O/c1-15-14(19)7-9-16-11-12-5-2-3-6-13(12)18-10-4-8-17-18/h2-6,8,10,16H,7,9,11H2,1H3,(H,15,19)
InChIKeyPJLYCTWRUIHANJ-UHFFFAOYSA-N
XLogP1.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 80693727
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303
3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 61165939
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
2-[[[3-(methylamino)-3-oxopropyl]amino]methyl]benzoic acid
CID 103245961
3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
CID 115641584
3-(ethylamino)-N-(2-pyrazol-1-ylphenyl)propanamide
CID 62833081
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one
CID 61166922
N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 131919574
N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 47454487

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide?
The IUPAC name of N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide (CID 62324592) is N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide.
What is the SMILES notation for N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide?
The canonical SMILES for N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide is CNC(=O)CCNCc1ccccc1-n1cccn1.
What is the InChIKey of N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide?
The InChIKey is PJLYCTWRUIHANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-14(19)7-9-16-11-12-5-2-3-6-13(12)18-10-4-8-17-18/h2-6,8,10,16H,7,9,11H2,1H3,(H,15,19).
What are the key properties of N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide?
N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide is sourced from PubChem (CID 62324592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).