2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol

C14H27N3O — CID 64773175

IUPAC2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol
SMILESCCC(CC)N(CCO)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H27N3O/c1-5-14(6-2)16(9-10-18)11-13-7-8-17(15-13)12(3)4/h7-8,12,14,18H,5-6,9-11H2,1-4H3
InChIKeyFXZQTHRZHAWVCT-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.45
Rot. Bonds8

About 2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol

2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol (PubChem CID 64773175) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol
PubChem CID64773175
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol
SMILESCCC(CC)N(CCO)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H27N3O/c1-5-14(6-2)16(9-10-18)11-13-7-8-17(15-13)12(3)4/h7-8,12,14,18H,5-6,9-11H2,1-4H3
InChIKeyFXZQTHRZHAWVCT-UHFFFAOYSA-N
XLogP2.45
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol
CID 64773013
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol
CID 64777688
N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
CID 82870861
2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol
CID 62016642
2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 115741469
2-[1,2-oxazol-5-ylmethyl(pentan-3-yl)amino]ethanol
CID 62016832
2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol
CID 62735874
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
4-amino-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]phenol
CID 54994704
2-chloro-3-methoxy-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 64801718
2-[(2,6-dichloro-3-pyridinyl)methyl-pentan-3-ylamino]ethanol
CID 106993642
2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol
CID 62013906

Frequently Asked Questions

What is the IUPAC name of 2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol (CID 64773175) is 2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol is CCC(CC)N(CCO)Cc1ccn(C(C)C)n1.
What is the InChIKey of 2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol?
The InChIKey is FXZQTHRZHAWVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-14(6-2)16(9-10-18)11-13-7-8-17(15-13)12(3)4/h7-8,12,14,18H,5-6,9-11H2,1-4H3.
What are the key properties of 2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol?
2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol has a molecular weight of 253.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 64773175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).