(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

C14H18N4O — CID 119275741

IUPAC(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C14H18N4O/c1-11(15)14(19)16-9-12-5-2-3-6-13(12)10-18-8-4-7-17-18/h2-8,11H,9-10,15H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyFYXDOULPUIODLC-LLVKDONJSA-N
MW258.33 g/mol
LogP0.89
Rot. Bonds5

About (2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 119275741) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is (2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID119275741
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC Name(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C14H18N4O/c1-11(15)14(19)16-9-12-5-2-3-6-13(12)10-18-8-4-7-17-18/h2-8,11H,9-10,15H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyFYXDOULPUIODLC-LLVKDONJSA-N
XLogP0.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 46684646
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
2-methyl-1-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111126243
cis-(1S,2R)-2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31953910
cis-(1R,3S)-2,2-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065237
1-(2-hydroxy-2,3-dimethylpentyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 111120887
2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid
CID 119358577
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 43705539
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (CID 119275741) is (2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is C[C@@H](N)C(=O)NCc1ccccc1Cn1cccn1.
What is the InChIKey of (2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is FYXDOULPUIODLC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(15)14(19)16-9-12-5-2-3-6-13(12)10-18-8-4-7-17-18/h2-8,11H,9-10,15H2,1H3,(H,16,19)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 258.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 119275741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).