1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol

C11H20N4O — CID 102538343

IUPAC1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CN1CCCNCC1)Cn1cccn1
InChIInChI=1S/C11H20N4O/c16-11(10-15-7-2-4-13-15)9-14-6-1-3-12-5-8-14/h2,4,7,11-12,16H,1,3,5-6,8-10H2
InChIKeyJDHGBUOREDEXAP-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.46
Rot. Bonds4

About 1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol

1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 102538343) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol
PubChem CID102538343
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CN1CCCNCC1)Cn1cccn1
InChIInChI=1S/C11H20N4O/c16-11(10-15-7-2-4-13-15)9-14-6-1-3-12-5-8-14/h2,4,7,11-12,16H,1,3,5-6,8-10H2
InChIKeyJDHGBUOREDEXAP-UHFFFAOYSA-N
XLogP-0.46
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 60500592
(2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 95067014
1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
CID 65447755
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053109
(2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 124787969
(2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95314172
(2S)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067068
(2R)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067069
1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 62991007
(2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94393943
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 94177110
(2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 98765727

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol (CID 102538343) is 1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol is OC(CN1CCCNCC1)Cn1cccn1.
What is the InChIKey of 1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is JDHGBUOREDEXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c16-11(10-15-7-2-4-13-15)9-14-6-1-3-12-5-8-14/h2,4,7,11-12,16H,1,3,5-6,8-10H2.
What are the key properties of 1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol?
1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 224.31 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 102538343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).