(2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide

C19H20N4O2 — CID 118625554

IUPAC(2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide
SMILESCOc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H20N4O2/c1-25-18-10-15(7-8-16(18)14-11-21-22-12-14)23-19(24)17(20)9-13-5-3-2-4-6-13/h2-8,10-12,17H,9,20H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1
InChIKeyUOMBBRLBZANHQY-QGZVFWFLSA-N
MW336.40 g/mol
LogP2.59
Rot. Bonds6

About (2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide

(2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide (PubChem CID 118625554) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide
PubChem CID118625554
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide
SMILESCOc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H20N4O2/c1-25-18-10-15(7-8-16(18)14-11-21-22-12-14)23-19(24)17(20)9-13-5-3-2-4-6-13/h2-8,10-12,17H,9,20H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1
InChIKeyUOMBBRLBZANHQY-QGZVFWFLSA-N
XLogP2.59
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide (CID 118625554) is (2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide is COc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1-c1cn[nH]c1.
What is the InChIKey of (2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide?
The InChIKey is UOMBBRLBZANHQY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-18-10-15(7-8-16(18)14-11-21-22-12-14)23-19(24)17(20)9-13-5-3-2-4-6-13/h2-8,10-12,17H,9,20H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide?
(2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide has a molecular weight of 336.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 118625554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).