[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone

C18H26N4O2 — CID 70848735

IUPAC[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
SMILESCn1cccc1-c1cc(C(=O)N2CCC(CC(C)(C)O)CC2)[nH]n1
InChIInChI=1S/C18H26N4O2/c1-18(2,24)12-13-6-9-22(10-7-13)17(23)15-11-14(19-20-15)16-5-4-8-21(16)3/h4-5,8,11,13,24H,6-7,9-10,12H2,1-3H3,(H,19,20)
InChIKeySYAVNDPOEOTDCX-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.43
Rot. Bonds4

About [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone

[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 70848735) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
PubChem CID70848735
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
SMILESCn1cccc1-c1cc(C(=O)N2CCC(CC(C)(C)O)CC2)[nH]n1
InChIInChI=1S/C18H26N4O2/c1-18(2,24)12-13-6-9-22(10-7-13)17(23)15-11-14(19-20-15)16-5-4-8-21(16)3/h4-5,8,11,13,24H,6-7,9-10,12H2,1-3H3,(H,19,20)
InChIKeySYAVNDPOEOTDCX-UHFFFAOYSA-N
XLogP2.43
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone with MolForge

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Related Compounds

[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 70848684
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methanone
CID 46910065
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methanone
CID 46910066
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone
CID 70848732
[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848755
[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 70722437
[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 97129509
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 70719021
(3aS,6aS)-N,N-dimethyl-5-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxamide
CID 70776907
4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid
CID 56908982
(2S)-4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid
CID 95892043
ethane;3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 143757787

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone (CID 70848735) is [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone is Cn1cccc1-c1cc(C(=O)N2CCC(CC(C)(C)O)CC2)[nH]n1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone?
The InChIKey is SYAVNDPOEOTDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(2,24)12-13-6-9-22(10-7-13)17(23)15-11-14(19-20-15)16-5-4-8-21(16)3/h4-5,8,11,13,24H,6-7,9-10,12H2,1-3H3,(H,19,20).
What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone?
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 70848735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).