1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate

C14H18N4O2 — CID 174564624

IUPAC1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate
SMILESNC[C@H](Cc1ccccc1)NC(=O)OCc1ccn[nH]1
InChIInChI=1S/C14H18N4O2/c15-9-13(8-11-4-2-1-3-5-11)17-14(19)20-10-12-6-7-16-18-12/h1-7,13H,8-10,15H2,(H,16,18)(H,17,19)/t13-/m0/s1
InChIKeyIORSFXWJCIVOON-ZDUSSCGKSA-N
MW274.32 g/mol
LogP1.21
Rot. Bonds6

About 1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate

1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate (PubChem CID 174564624) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Name1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate
PubChem CID174564624
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate
SMILESNC[C@H](Cc1ccccc1)NC(=O)OCc1ccn[nH]1
InChIInChI=1S/C14H18N4O2/c15-9-13(8-11-4-2-1-3-5-11)17-14(19)20-10-12-6-7-16-18-12/h1-7,13H,8-10,15H2,(H,16,18)(H,17,19)/t13-/m0/s1
InChIKeyIORSFXWJCIVOON-ZDUSSCGKSA-N
XLogP1.21
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide
CID 107861205
benzyl N-(1-aminobutan-2-yl)carbamate;hydrochloride
CID 45072684
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide
CID 107941600
benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 85273603
(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propane-1-sulfonic acid
CID 98005835
N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212909
benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate
CID 11337603
benzyl N-[(2S)-1-chloro-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 176637453
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
(2R)-3-phenyl-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid
CID 158388158
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate?
The IUPAC name of 1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate (CID 174564624) is 1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for 1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for 1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate is NC[C@H](Cc1ccccc1)NC(=O)OCc1ccn[nH]1.
What is the InChIKey of 1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate?
The InChIKey is IORSFXWJCIVOON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-9-13(8-11-4-2-1-3-5-11)17-14(19)20-10-12-6-7-16-18-12/h1-7,13H,8-10,15H2,(H,16,18)(H,17,19)/t13-/m0/s1.
What are the key properties of 1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate?
1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate has a molecular weight of 274.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 174564624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).