(2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide

C14H16N4O — CID 5330943

IUPAC(2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
SMILESN[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccccc1
InChIInChI=1S/C14H16N4O/c15-13(10-4-2-1-3-5-10)14(19)16-12-8-11(17-18-12)9-6-7-9/h1-5,8-9,13H,6-7,15H2,(H2,16,17,18,19)/t13-/m0/s1
InChIKeyKTHMSZIGCQCCFJ-ZDUSSCGKSA-N
MW256.31 g/mol
LogP1.93
Rot. Bonds4

About (2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide

(2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide (PubChem CID 5330943) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
PubChem CID5330943
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
SMILESN[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccccc1
InChIInChI=1S/C14H16N4O/c15-13(10-4-2-1-3-5-10)14(19)16-12-8-11(17-18-12)9-6-7-9/h1-5,8-9,13H,6-7,15H2,(H2,16,17,18,19)/t13-/m0/s1
InChIKeyKTHMSZIGCQCCFJ-ZDUSSCGKSA-N
XLogP1.93
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide (CID 5330943) is (2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide is N[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide?
The InChIKey is KTHMSZIGCQCCFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N4O/c15-13(10-4-2-1-3-5-10)14(19)16-12-8-11(17-18-12)9-6-7-9/h1-5,8-9,13H,6-7,15H2,(H2,16,17,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide?
(2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide has a molecular weight of 256.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 5330943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).