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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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).