2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol

C17H28N4O — CID 146043484

IUPAC2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol
SMILESOC(CN1CCc2[nH]nc(C3CC3)c2CC1)C1CCNCC1
InChIInChI=1S/C17H28N4O/c22-16(12-3-7-18-8-4-12)11-21-9-5-14-15(6-10-21)19-20-17(14)13-1-2-13/h12-13,16,18,22H,1-11H2,(H,19,20)
InChIKeyHJQGUKXSGHJHNT-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.05
Rot. Bonds4

About 2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol

2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol (PubChem CID 146043484) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol
PubChem CID146043484
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol
SMILESOC(CN1CCc2[nH]nc(C3CC3)c2CC1)C1CCNCC1
InChIInChI=1S/C17H28N4O/c22-16(12-3-7-18-8-4-12)11-21-9-5-14-15(6-10-21)19-20-17(14)13-1-2-13/h12-13,16,18,22H,1-11H2,(H,19,20)
InChIKeyHJQGUKXSGHJHNT-UHFFFAOYSA-N
XLogP1.05
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol with MolForge

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Related Compounds

3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride
CID 154923557
2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride
CID 154919752
cyclopropyl-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 154571091
3-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172661294
1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol
CID 115006999
2-piperazin-1-yl-1-pyrrolidin-3-ylethanol
CID 115021800
4-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-1H-pyrrole-2-carbonitrile
CID 154566776
ethyl 4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)butanoate;formic acid
CID 163334244
3-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride
CID 45480288
(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-(1,4-oxazepan-6-yl)methanone
CID 154566749
1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 146042226
1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride
CID 154920544

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol?
The IUPAC name of 2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol (CID 146043484) is 2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol.
What is the SMILES notation for 2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol?
The canonical SMILES for 2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol is OC(CN1CCc2[nH]nc(C3CC3)c2CC1)C1CCNCC1.
What is the InChIKey of 2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol?
The InChIKey is HJQGUKXSGHJHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c22-16(12-3-7-18-8-4-12)11-21-9-5-14-15(6-10-21)19-20-17(14)13-1-2-13/h12-13,16,18,22H,1-11H2,(H,19,20).
What are the key properties of 2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol?
2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol has a molecular weight of 304.44 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol is sourced from PubChem (CID 146043484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).