4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol

C20H23N5O — CID 120962279

IUPAC4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C20H23N5O/c26-19-13-23-11-16(19)10-22-12-17-14-25(18-6-2-1-3-7-18)24-20(17)15-5-4-8-21-9-15/h1-9,14,16,19,22-23,26H,10-13H2
InChIKeyBCFAYQHMGXNDDO-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.60
Rot. Bonds6

About 4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol

4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962279) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120962279
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C20H23N5O/c26-19-13-23-11-16(19)10-22-12-17-14-25(18-6-2-1-3-7-18)24-20(17)15-5-4-8-21-9-15/h1-9,14,16,19,22-23,26H,10-13H2
InChIKeyBCFAYQHMGXNDDO-UHFFFAOYSA-N
XLogP1.60
TPSA75.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 120946153
2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol
CID 17445531
4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962970
3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
CID 119109389
2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 111469301
4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962385
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120963153
1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride
CID 119459838
(2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 30961231
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide
CID 120945565
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
CID 119122477

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol (CID 120962279) is 4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol is OC1CNCC1CNCc1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is BCFAYQHMGXNDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-19-13-23-11-16(19)10-22-12-17-14-25(18-6-2-1-3-7-18)24-20(17)15-5-4-8-21-9-15/h1-9,14,16,19,22-23,26H,10-13H2.
What are the key properties of 4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 349.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).