(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

C14H18N4O — CID 106212809

IUPAC(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)[C@@H](N)Cc1ccccc1)c1cn[nH]c1
InChIInChI=1S/C14H18N4O/c1-10(12-8-16-17-9-12)18-14(19)13(15)7-11-5-3-2-4-6-11/h2-6,8-10,13H,7,15H2,1H3,(H,16,17)(H,18,19)/t10?,13-/m0/s1
InChIKeyRCLXMKBPKANSIJ-HQVZTVAUSA-N
MW258.32 g/mol
LogP1.16
Rot. Bonds5

About (2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 106212809) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID106212809
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)[C@@H](N)Cc1ccccc1)c1cn[nH]c1
InChIInChI=1S/C14H18N4O/c1-10(12-8-16-17-9-12)18-14(19)13(15)7-11-5-3-2-4-6-11/h2-6,8-10,13H,7,15H2,1H3,(H,16,17)(H,18,19)/t10?,13-/m0/s1
InChIKeyRCLXMKBPKANSIJ-HQVZTVAUSA-N
XLogP1.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557
(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 93428558
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856658
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106213471
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 106212701
2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 103857035
3-phenyl-2-(1H-pyrazol-4-yl)propanamide
CID 91102712
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 106212809) is (2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is CC(NC(=O)[C@@H](N)Cc1ccccc1)c1cn[nH]c1.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is RCLXMKBPKANSIJ-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(12-8-16-17-9-12)18-14(19)13(15)7-11-5-3-2-4-6-11/h2-6,8-10,13H,7,15H2,1H3,(H,16,17)(H,18,19)/t10?,13-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 106212809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).