(1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone

C19H33N5O2 — CID 72840759

IUPAC(1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1
InChIInChI=1S/C19H33N5O2/c1-15-17(14-22(3)20-15)19(26)24-7-6-18(16(13-24)5-4-12-25)23-10-8-21(2)9-11-23/h14,16,18,25H,4-13H2,1-3H3/t16-,18+/m1/s1
InChIKeyDSJADFFERBJPDL-AEFFLSMTSA-N
MW363.51 g/mol
LogP0.58
Rot. Bonds5

About (1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone (PubChem CID 72840759) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
PubChem CID72840759
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1
InChIInChI=1S/C19H33N5O2/c1-15-17(14-22(3)20-15)19(26)24-7-6-18(16(13-24)5-4-12-25)23-10-8-21(2)9-11-23/h14,16,18,25H,4-13H2,1-3H3/t16-,18+/m1/s1
InChIKeyDSJADFFERBJPDL-AEFFLSMTSA-N
XLogP0.58
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

3-[(3R*,4S*)-1-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol
CID 72844648
(1S*,2S*)-2-{4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}cyclohexanol
CID 72868463
[(3R*,5R*)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-5-(pyrrolidin-1-ylmethyl)piperidin-3-yl]methanol
CID 70719278
[(3R*,5R*)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)carbonyl]-5-(1-pyrrolidinylmethyl)-3-piperidinyl]methanol
CID 72894759
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 126808258
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 138004890
5-(difluoromethyl)-N-[4-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109870471
[5-(Difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-[3-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 109872303
[5-(Difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone
CID 109872396
[3-(Hydroxymethyl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 110902999
[3-(Hydroxymethyl)piperidin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 112347279
[1-Ethyl-5-(trifluoromethyl)pyrazol-4-yl]-[3-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 112377292

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone (CID 72840759) is (1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone is Cc1nn(C)cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone?
The InChIKey is DSJADFFERBJPDL-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-15-17(14-22(3)20-15)19(26)24-7-6-18(16(13-24)5-4-12-25)23-10-8-21(2)9-11-23/h14,16,18,25H,4-13H2,1-3H3/t16-,18+/m1/s1.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone has a molecular weight of 363.51 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72840759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).