(2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide

C19H26N4O2 — CID 95894498

IUPAC(2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
SMILESCC[C@@H](C(=O)N(C)Cc1ccc(-n2cccn2)cc1)N1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-3-18(22-11-13-25-14-12-22)19(24)21(2)15-16-5-7-17(8-6-16)23-10-4-9-20-23/h4-10,18H,3,11-15H2,1-2H3/t18-/m0/s1
InChIKeyNTCULAPRXFJPQC-SFHVURJKSA-N
MW342.44 g/mol
LogP1.94
Rot. Bonds6

About (2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide

(2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide (PubChem CID 95894498) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
PubChem CID95894498
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
SMILESCC[C@@H](C(=O)N(C)Cc1ccc(-n2cccn2)cc1)N1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-3-18(22-11-13-25-14-12-22)19(24)21(2)15-16-5-7-17(8-6-16)23-10-4-9-20-23/h4-10,18H,3,11-15H2,1-2H3/t18-/m0/s1
InChIKeyNTCULAPRXFJPQC-SFHVURJKSA-N
XLogP1.94
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide?
The IUPAC name of (2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide (CID 95894498) is (2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide?
The canonical SMILES for (2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide is CC[C@@H](C(=O)N(C)Cc1ccc(-n2cccn2)cc1)N1CCOCC1.
What is the InChIKey of (2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide?
The InChIKey is NTCULAPRXFJPQC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-18(22-11-13-25-14-12-22)19(24)21(2)15-16-5-7-17(8-6-16)23-10-4-9-20-23/h4-10,18H,3,11-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide?
(2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide has a molecular weight of 342.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-morpholin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide is sourced from PubChem (CID 95894498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).