(2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide

C19H28N4O — CID 164638423

IUPAC(2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide
SMILESCCN(C)C[C@H](C)C(=O)Nc1c(C)cnn1Cc1cccc(C)c1
InChIInChI=1S/C19H28N4O/c1-6-22(5)12-16(4)19(24)21-18-15(3)11-20-23(18)13-17-9-7-8-14(2)10-17/h7-11,16H,6,12-13H2,1-5H3,(H,21,24)/t16-/m0/s1
InChIKeyWCPDJOMDNAYRLR-INIZCTEOSA-N
MW328.46 g/mol
LogP3.07
Rot. Bonds7

About (2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide

(2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide (PubChem CID 164638423) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide
PubChem CID164638423
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide
SMILESCCN(C)C[C@H](C)C(=O)Nc1c(C)cnn1Cc1cccc(C)c1
InChIInChI=1S/C19H28N4O/c1-6-22(5)12-16(4)19(24)21-18-15(3)11-20-23(18)13-17-9-7-8-14(2)10-17/h7-11,16H,6,12-13H2,1-5H3,(H,21,24)/t16-/m0/s1
InChIKeyWCPDJOMDNAYRLR-INIZCTEOSA-N
XLogP3.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide?
The IUPAC name of (2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide (CID 164638423) is (2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide.
What is the SMILES notation for (2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide?
The canonical SMILES for (2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide is CCN(C)C[C@H](C)C(=O)Nc1c(C)cnn1Cc1cccc(C)c1.
What is the InChIKey of (2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide?
The InChIKey is WCPDJOMDNAYRLR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N4O/c1-6-22(5)12-16(4)19(24)21-18-15(3)11-20-23(18)13-17-9-7-8-14(2)10-17/h7-11,16H,6,12-13H2,1-5H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide?
(2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide has a molecular weight of 328.46 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide is sourced from PubChem (CID 164638423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).