N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine

C14H19ClN4O — CID 105186345

IUPACN-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1Cl)c1c(OC)cnn1C
InChIInChI=1S/C14H19ClN4O/c1-4-6-17-13(10-5-7-16-8-11(10)15)14-12(20-3)9-18-19(14)2/h5,7-9,13,17H,4,6H2,1-3H3
InChIKeyLSBSJLHFGAHXMK-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.57
Rot. Bonds6

About N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine

N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine (PubChem CID 105186345) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
PubChem CID105186345
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC NameN-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1Cl)c1c(OC)cnn1C
InChIInChI=1S/C14H19ClN4O/c1-4-6-17-13(10-5-7-16-8-11(10)15)14-12(20-3)9-18-19(14)2/h5,7-9,13,17H,4,6H2,1-3H3
InChIKeyLSBSJLHFGAHXMK-UHFFFAOYSA-N
XLogP2.57
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine
CID 105186702
[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339114
N-[(2-chloro-4-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 114650305
N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114659883
N-[(4-chloro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105047098
N-[(4-bromo-3-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105047345
N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 114660191
N-[(4-methoxy-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374801
N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114647242
N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 105144863
N-[(4-chloro-1-methylpyrazol-5-yl)-(2-chlorophenyl)methyl]propan-1-amine
CID 114649321
N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114646379

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine (CID 105186345) is N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine is CCCNC(c1ccncc1Cl)c1c(OC)cnn1C.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is LSBSJLHFGAHXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-4-6-17-13(10-5-7-16-8-11(10)15)14-12(20-3)9-18-19(14)2/h5,7-9,13,17H,4,6H2,1-3H3.
What are the key properties of N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine?
N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 294.79 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105186345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).