3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride

C15H22Cl2N4O — CID 154893140

IUPAC3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1(CNCc2ccccc2-n2cccn2)CCNC1
InChIInChI=1S/C15H20N4O.2ClH/c20-15(6-8-16-11-15)12-17-10-13-4-1-2-5-14(13)19-9-3-7-18-19;;/h1-5,7,9,16-17,20H,6,8,10-12H2;2*1H
InChIKeyFPJXFDLALLVSLJ-UHFFFAOYSA-N
MW345.27 g/mol
LogP1.53
Rot. Bonds5

About 3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride

3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride (PubChem CID 154893140) has the molecular formula C15H22Cl2N4O and a molecular weight of 345.27 g/mol. Its IUPAC name is 3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride
PubChem CID154893140
Molecular FormulaC15H22Cl2N4O
Molecular Weight345.27 g/mol
Exact Mass344.12
IUPAC Name3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1(CNCc2ccccc2-n2cccn2)CCNC1
InChIInChI=1S/C15H20N4O.2ClH/c20-15(6-8-16-11-15)12-17-10-13-4-1-2-5-14(13)19-9-3-7-18-19;;/h1-5,7,9,16-17,20H,6,8,10-12H2;2*1H
InChIKeyFPJXFDLALLVSLJ-UHFFFAOYSA-N
XLogP1.53
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2S)-2-ethylsulfanyl-1-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 97022387
(1R,9aR)-1-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol
CID 46988214
2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 80693727
(3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 129466083
4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120624401
(3R)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-3-ol
CID 95867584
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
(3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95720438
3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride
CID 154924889
N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 61165719
4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol
CID 126846949
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine
CID 109469139

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride?
The IUPAC name of 3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride (CID 154893140) is 3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for 3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for 3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride is Cl.Cl.OC1(CNCc2ccccc2-n2cccn2)CCNC1.
What is the InChIKey of 3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride?
The InChIKey is FPJXFDLALLVSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.2ClH/c20-15(6-8-16-11-15)12-17-10-13-4-1-2-5-14(13)19-9-3-7-18-19;;/h1-5,7,9,16-17,20H,6,8,10-12H2;2*1H.
What are the key properties of 3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride?
3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 154893140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).