4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol

C15H19ClN4O — CID 120962517

IUPAC4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H19ClN4O/c16-13-1-3-14(4-2-13)20-10-11(6-19-20)5-17-7-12-8-18-9-15(12)21/h1-4,6,10,12,15,17-18,21H,5,7-9H2
InChIKeyKAZJXUUPNNCSRL-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.20
Rot. Bonds5

About 4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol

4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962517) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
PubChem CID120962517
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H19ClN4O/c16-13-1-3-14(4-2-13)20-10-11(6-19-20)5-17-7-12-8-18-9-15(12)21/h1-4,6,10,12,15,17-18,21H,5,7-9H2
InChIKeyKAZJXUUPNNCSRL-UHFFFAOYSA-N
XLogP1.20
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.20
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-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961946
4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962540
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 111469646
3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea
CID 86970448
1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947316
4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962643
3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270639
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962692
4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide
CID 86968466
4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962385

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol (CID 120962517) is 4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol is OC1CNCC1CNCc1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is KAZJXUUPNNCSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c16-13-1-3-14(4-2-13)20-10-11(6-19-20)5-17-7-12-8-18-9-15(12)21/h1-4,6,10,12,15,17-18,21H,5,7-9H2.
What are the key properties of 4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol?
4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 306.80 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).