(2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C17H31N5O2 — CID 124778984

IUPAC(2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@H](C)C1
InChIInChI=1S/C17H31N5O2/c1-12(2)22-16(6-7-18-22)19-17(24)15(5)21-9-8-20(11-14(4)23)13(3)10-21/h6-7,12-15,23H,8-11H2,1-5H3,(H,19,24)/t13-,14+,15+/m1/s1
InChIKeyTTXZZWZWOFRKTQ-ILXRZTDVSA-N
MW337.47 g/mol
LogP1.18
Rot. Bonds6

About (2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

(2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 124778984) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is (2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID124778984
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name(2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@H](C)C1
InChIInChI=1S/C17H31N5O2/c1-12(2)22-16(6-7-18-22)19-17(24)15(5)21-9-8-20(11-14(4)23)13(3)10-21/h6-7,12-15,23H,8-11H2,1-5H3,(H,19,24)/t13-,14+,15+/m1/s1
InChIKeyTTXZZWZWOFRKTQ-ILXRZTDVSA-N
XLogP1.18
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(2R)-2-methylmorpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 98716581
2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42913354
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide
CID 124778693
(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 100836726
(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide
CID 100841830
2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 95322887
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46571508
(2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 95750293
(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
CID 124742294
(2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 95612682
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 37078163
(2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
CID 100837005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 124778984) is (2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@H](C)C1.
What is the InChIKey of (2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is TTXZZWZWOFRKTQ-ILXRZTDVSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-12(2)22-16(6-7-18-22)19-17(24)15(5)21-9-8-20(11-14(4)23)13(3)10-21/h6-7,12-15,23H,8-11H2,1-5H3,(H,19,24)/t13-,14+,15+/m1/s1.
What are the key properties of (2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
(2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 337.47 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 124778984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).