1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine

C18H25ClN4O — CID 51105336

IUPAC1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCOc1c(CNCC2CCN(c3ccc(Cl)cc3)C2)c(C)nn1C
InChIInChI=1S/C18H25ClN4O/c1-13-17(18(24-3)22(2)21-13)11-20-10-14-8-9-23(12-14)16-6-4-15(19)5-7-16/h4-7,14,20H,8-12H2,1-3H3
InChIKeyNLNQOPZMTRULBQ-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.01
Rot. Bonds6

About 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine

1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 51105336) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
PubChem CID51105336
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCOc1c(CNCC2CCN(c3ccc(Cl)cc3)C2)c(C)nn1C
InChIInChI=1S/C18H25ClN4O/c1-13-17(18(24-3)22(2)21-13)11-20-10-14-8-9-23(12-14)16-6-4-15(19)5-7-16/h4-7,14,20H,8-12H2,1-3H3
InChIKeyNLNQOPZMTRULBQ-UHFFFAOYSA-N
XLogP3.01
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

1-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 124696766
(1R)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 52536037
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614969
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 83468973
4-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]benzonitrile
CID 51105404
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 83468968
1-[(3S)-1-(4-bromophenyl)pyrrolidin-3-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 124694514
methyl 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981420
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124575654
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine
CID 94816988
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 51105113
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine (CID 51105336) is 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine is COc1c(CNCC2CCN(c3ccc(Cl)cc3)C2)c(C)nn1C.
What is the InChIKey of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is NLNQOPZMTRULBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-13-17(18(24-3)22(2)21-13)11-20-10-14-8-9-23(12-14)16-6-4-15(19)5-7-16/h4-7,14,20H,8-12H2,1-3H3.
What are the key properties of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine?
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 348.88 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 51105336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).