3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide

C18H26N4O — CID 95301284

IUPAC3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1cnn(C[C@@H](C)NCCC(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C18H26N4O/c1-14-11-20-22(12-14)13-15(2)19-10-9-18(23)21-16(3)17-7-5-4-6-8-17/h4-8,11-12,15-16,19H,9-10,13H2,1-3H3,(H,21,23)/t15-,16+/m1/s1
InChIKeyCVTANKVYRINNGA-CVEARBPZSA-N
MW314.43 g/mol
LogP2.44
Rot. Bonds8

About 3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide

3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 95301284) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
PubChem CID95301284
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1cnn(C[C@@H](C)NCCC(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C18H26N4O/c1-14-11-20-22(12-14)13-15(2)19-10-9-18(23)21-16(3)17-7-5-4-6-8-17/h4-8,11-12,15-16,19H,9-10,13H2,1-3H3,(H,21,23)/t15-,16+/m1/s1
InChIKeyCVTANKVYRINNGA-CVEARBPZSA-N
XLogP2.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
CID 95614058
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95311797
(2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95318530
1-[3-(4-methylpyrazol-1-yl)propyl]-3-(1-phenylethyl)thiourea
CID 19572963
2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide
CID 95750431
3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95906003
5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 42783473
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134007796
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide
CID 42698521

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide (CID 95301284) is 3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide is Cc1cnn(C[C@@H](C)NCCC(=O)N[C@@H](C)c2ccccc2)c1.
What is the InChIKey of 3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is CVTANKVYRINNGA-CVEARBPZSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-11-20-22(12-14)13-15(2)19-10-9-18(23)21-16(3)17-7-5-4-6-8-17/h4-8,11-12,15-16,19H,9-10,13H2,1-3H3,(H,21,23)/t15-,16+/m1/s1.
What are the key properties of 3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide?
3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 314.43 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 95301284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).