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

C14H18N4O2 — CID 81089680

IUPAC2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
SMILESCOCC(N)C(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C14H18N4O2/c1-20-10-12(15)14(19)16-9-11-5-2-3-6-13(11)18-8-4-7-17-18/h2-8,12H,9-10,15H2,1H3,(H,16,19)
InChIKeyCVNGASSTCBUYEI-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.46
Rot. Bonds6

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

2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide (PubChem CID 81089680) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
PubChem CID81089680
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
SMILESCOCC(N)C(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C14H18N4O2/c1-20-10-12(15)14(19)16-9-11-5-2-3-6-13(11)18-8-4-7-17-18/h2-8,12H,9-10,15H2,1H3,(H,16,19)
InChIKeyCVNGASSTCBUYEI-UHFFFAOYSA-N
XLogP0.46
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 81087122
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303
4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120624401
2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
CID 81428067
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide
CID 81082949
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 81083953
2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 61165757

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide (CID 81089680) is 2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide is COCC(N)C(=O)NCc1ccccc1-n1cccn1.
What is the InChIKey of 2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide?
The InChIKey is CVNGASSTCBUYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-10-12(15)14(19)16-9-11-5-2-3-6-13(11)18-8-4-7-17-18/h2-8,12H,9-10,15H2,1H3,(H,16,19).
What are the key properties of 2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide?
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 81089680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).