N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine

C24H23ClN4O — CID 34535658

IUPACN-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESClc1ccc(OCc2cccnc2)c(CNCc2ccc(Cn3cccn3)cc2)c1
InChIInChI=1S/C24H23ClN4O/c25-23-8-9-24(30-18-21-3-1-10-26-15-21)22(13-23)16-27-14-19-4-6-20(7-5-19)17-29-12-2-11-28-29/h1-13,15,27H,14,16-18H2
InChIKeyODVZCLSBTCUZHB-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.85
Rot. Bonds9

About N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine

N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine (PubChem CID 34535658) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
PubChem CID34535658
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC NameN-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESClc1ccc(OCc2cccnc2)c(CNCc2ccc(Cn3cccn3)cc2)c1
InChIInChI=1S/C24H23ClN4O/c25-23-8-9-24(30-18-21-3-1-10-26-15-21)22(13-23)16-27-14-19-4-6-20(7-5-19)17-29-12-2-11-28-29/h1-13,15,27H,14,16-18H2
InChIKeyODVZCLSBTCUZHB-UHFFFAOYSA-N
XLogP4.85
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 17289311
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 17054003
4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961872
1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808450
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine
CID 4717131
1-(3-chloro-4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 17157336
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 4718771
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66530812
N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 17055191
N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 66531577

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine (CID 34535658) is N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine is Clc1ccc(OCc2cccnc2)c(CNCc2ccc(Cn3cccn3)cc2)c1.
What is the InChIKey of N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine?
The InChIKey is ODVZCLSBTCUZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c25-23-8-9-24(30-18-21-3-1-10-26-15-21)22(13-23)16-27-14-19-4-6-20(7-5-19)17-29-12-2-11-28-29/h1-13,15,27H,14,16-18H2.
What are the key properties of N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine?
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine has a molecular weight of 418.93 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 34535658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).