N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide

C18H31N5O2 — CID 124778693

IUPACN-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide
SMILESC[C@H](O)CN1CCN(CC(=O)Nc2ccnn2[C@H](C)C2CC2)C[C@H]1C
InChIInChI=1S/C18H31N5O2/c1-13-10-21(8-9-22(13)11-14(2)24)12-18(25)20-17-6-7-19-23(17)15(3)16-4-5-16/h6-7,13-16,24H,4-5,8-12H2,1-3H3,(H,20,25)/t13-,14+,15-/m1/s1
InChIKeyQDALWXYFMCFAKZ-QLFBSQMISA-N
MW349.48 g/mol
LogP1.18
Rot. Bonds7

About N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide

N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide (PubChem CID 124778693) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide
PubChem CID124778693
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide
SMILESC[C@H](O)CN1CCN(CC(=O)Nc2ccnn2[C@H](C)C2CC2)C[C@H]1C
InChIInChI=1S/C18H31N5O2/c1-13-10-21(8-9-22(13)11-14(2)24)12-18(25)20-17-6-7-19-23(17)15(3)16-4-5-16/h6-7,13-16,24H,4-5,8-12H2,1-3H3,(H,20,25)/t13-,14+,15-/m1/s1
InChIKeyQDALWXYFMCFAKZ-QLFBSQMISA-N
XLogP1.18
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 98148838
2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 95322887
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 98157374
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504018
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111461999
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 100839085
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112761644
(2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 124778984
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 114681188
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 78898163
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 112761641

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide (CID 124778693) is N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide is C[C@H](O)CN1CCN(CC(=O)Nc2ccnn2[C@H](C)C2CC2)C[C@H]1C.
What is the InChIKey of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide?
The InChIKey is QDALWXYFMCFAKZ-QLFBSQMISA-N. The full InChI is InChI=1S/C18H31N5O2/c1-13-10-21(8-9-22(13)11-14(2)24)12-18(25)20-17-6-7-19-23(17)15(3)16-4-5-16/h6-7,13-16,24H,4-5,8-12H2,1-3H3,(H,20,25)/t13-,14+,15-/m1/s1.
What are the key properties of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide?
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 124778693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).