4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C13H25ClN4O — CID 120961946

IUPAC4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCC(C)Cn1cc(CNCC2CNCC2O)cn1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-10(2)8-17-9-11(4-16-17)3-14-5-12-6-15-7-13(12)18;/h4,9-10,12-15,18H,3,5-8H2,1-2H3;1H
InChIKeyOTVYDKAORIOMFH-UHFFFAOYSA-N
MW288.82 g/mol
LogP0.63
Rot. Bonds6

About 4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120961946) has the molecular formula C13H25ClN4O and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120961946
Molecular FormulaC13H25ClN4O
Molecular Weight288.82 g/mol
Exact Mass288.17
IUPAC Name4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCC(C)Cn1cc(CNCC2CNCC2O)cn1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-10(2)8-17-9-11(4-16-17)3-14-5-12-6-15-7-13(12)18;/h4,9-10,12-15,18H,3,5-8H2,1-2H3;1H
InChIKeyOTVYDKAORIOMFH-UHFFFAOYSA-N
XLogP0.63
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961800
4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962517
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962692
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962514
3-methoxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine;hydrochloride
CID 126966892
N,N-dimethyl-4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]aniline;dihydrochloride
CID 126968221
[1-(2-methylpropyl)pyrazol-4-yl]methanol
CID 62729998
1-(2-methylpropyl)-4-pyrrolidin-3-ylpyrazole
CID 105447574
N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 62730479
3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine
CID 105461143
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961758

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120961946) is 4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is CC(C)Cn1cc(CNCC2CNCC2O)cn1.Cl.
What is the InChIKey of 4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is OTVYDKAORIOMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.ClH/c1-10(2)8-17-9-11(4-16-17)3-14-5-12-6-15-7-13(12)18;/h4,9-10,12-15,18H,3,5-8H2,1-2H3;1H.
What are the key properties of 4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120961946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).