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

C16H28N4O — CID 64777495

IUPAC2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C16H28N4O/c21-13-12-18-7-3-8-19(11-10-18)14-15-6-9-20(17-15)16-4-1-2-5-16/h6,9,16,21H,1-5,7-8,10-14H2
InChIKeyVHBCBQINSWZHCI-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.50
Rot. Bonds5

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

2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 64777495) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
PubChem CID64777495
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C16H28N4O/c21-13-12-18-7-3-8-19(11-10-18)14-15-6-9-20(17-15)16-4-1-2-5-16/h6,9,16,21H,1-5,7-8,10-14H2
InChIKeyVHBCBQINSWZHCI-UHFFFAOYSA-N
XLogP1.50
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloroethyl)-4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64778323
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 64801952
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64772847
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 64784735
[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 71916757
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol (CID 64777495) is 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol is OCCN1CCCN(Cc2ccn(C3CCCC3)n2)CC1.
What is the InChIKey of 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is VHBCBQINSWZHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c21-13-12-18-7-3-8-19(11-10-18)14-15-6-9-20(17-15)16-4-1-2-5-16/h6,9,16,21H,1-5,7-8,10-14H2.
What are the key properties of 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 292.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 64777495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).