2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol

C17H30N4O — CID 70778501

IUPAC2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCCN(C2CCCC2)CC1
InChIInChI=1S/C17H30N4O/c1-15-16(14-21(18-15)11-12-22)13-19-7-4-8-20(10-9-19)17-5-2-3-6-17/h14,17,22H,2-13H2,1H3
InChIKeyAYDJVLXBFTXJER-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.63
Rot. Bonds5

About 2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol

2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol (PubChem CID 70778501) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol
PubChem CID70778501
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCCN(C2CCCC2)CC1
InChIInChI=1S/C17H30N4O/c1-15-16(14-21(18-15)11-12-22)13-19-7-4-8-20(10-9-19)17-5-2-3-6-17/h14,17,22H,2-13H2,1H3
InChIKeyAYDJVLXBFTXJER-UHFFFAOYSA-N
XLogP1.63
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-{[1-(2-hydroxyethyl)-3-methyl-1H-pyrazol-4-yl]methyl}-1,4'-bipiperidin-4-ol
CID 70737725
2-[3-methyl-4-({4-[1-(1-pyrrolidinyl)ethyl]-1-piperidinyl}methyl)-1H-pyrazol-1-yl]ethanol
CID 70767261
{(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methanol
CID 91920881
2-(4,5-Dimethylpyrazol-1-yl)ethanol
CID 58514590
2-{3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]-1H-pyrazol-1-yl}ethanol
CID 77091141
N-cyclopentyl-N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 91767126
4-[2-[5-methyl-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethyl]-1,4-oxazepane
CID 99950324
Sdccgsbi-0115155.P001
CID 45208115
4-[2-(5-methyl-4-{[2-(trifluoromethyl)pyrrolidin-1-yl]methyl}-1H-pyrazol-1-yl)ethyl]-1,4-oxazepane
CID 50950469
4-[2-[5-methyl-4-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethyl]-1,4-oxazepane
CID 95120650
[(2S,4S)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 128983330
1,4-Bis[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-1,4-diazepan-6-ol
CID 166195248

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol (CID 70778501) is 2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN1CCCN(C2CCCC2)CC1.
What is the InChIKey of 2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol?
The InChIKey is AYDJVLXBFTXJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-15-16(14-21(18-15)11-12-22)13-19-7-4-8-20(10-9-19)17-5-2-3-6-17/h14,17,22H,2-13H2,1H3.
What are the key properties of 2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol?
2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol has a molecular weight of 306.45 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 70778501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).