[1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol

C16H30N4O — CID 110010515

IUPAC[1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol
SMILESCc1c(C(C)NCCCCN2CCCC2CO)cnn1C
InChIInChI=1S/C16H30N4O/c1-13(16-11-18-19(3)14(16)2)17-8-4-5-9-20-10-6-7-15(20)12-21/h11,13,15,17,21H,4-10,12H2,1-3H3
InChIKeyABYKIYRFGMSVNH-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.62
Rot. Bonds8

About [1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol

[1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol (PubChem CID 110010515) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is [1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol
PubChem CID110010515
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name[1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol
SMILESCc1c(C(C)NCCCCN2CCCC2CO)cnn1C
InChIInChI=1S/C16H30N4O/c1-13(16-11-18-19(3)14(16)2)17-8-4-5-9-20-10-6-7-15(20)12-21/h11,13,15,17,21H,4-10,12H2,1-3H3
InChIKeyABYKIYRFGMSVNH-UHFFFAOYSA-N
XLogP1.62
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3,5-Dimethyl-4-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 53616949
2-[3,5-Dimethyl-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 53522529
4-{[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl}-5-methyl-1-propyl-1H-pyrazole
CID 77093123
[(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 86787486
(1-{1-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]piperidin-4-YL}-4,4-difluoropyrrolidin-2-YL)methanol
CID 124051149
2-(1,5-Dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 79584577
2-(1,3-Dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 83091812
3-[1-(1,3-Dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778668
3-[1-(1,3-Dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol
CID 103787961
3-[1-(1,3-Dimethylpyrazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol
CID 104860543
2-[3,5-Dimethyl-4-[[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol
CID 112382569
((2S)-1-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}-4,4-difluorotetrahydro-1H-pyrrol-2-yl)methanol
CID 124051119

Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol (CID 110010515) is [1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol is Cc1c(C(C)NCCCCN2CCCC2CO)cnn1C.
What is the InChIKey of [1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol?
The InChIKey is ABYKIYRFGMSVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-13(16-11-18-19(3)14(16)2)17-8-4-5-9-20-10-6-7-15(20)12-21/h11,13,15,17,21H,4-10,12H2,1-3H3.
What are the key properties of [1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol?
[1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol has a molecular weight of 294.44 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 110010515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).