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

C15H21ClN4O — CID 105186702

IUPACN-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1Cl)c1c(OC)cnn1CC
InChIInChI=1S/C15H21ClN4O/c1-4-7-18-14(11-6-8-17-9-12(11)16)15-13(21-3)10-19-20(15)5-2/h6,8-10,14,18H,4-5,7H2,1-3H3
InChIKeyIYHMWSSGGATQJC-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.05
Rot. Bonds7

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

N-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine (PubChem CID 105186702) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine
PubChem CID105186702
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC NameN-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1Cl)c1c(OC)cnn1CC
InChIInChI=1S/C15H21ClN4O/c1-4-7-18-14(11-6-8-17-9-12(11)16)15-13(21-3)10-19-20(15)5-2/h6,8-10,14,18H,4-5,7H2,1-3H3
InChIKeyIYHMWSSGGATQJC-UHFFFAOYSA-N
XLogP3.05
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105186345
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646984
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine
CID 114659908
N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 105144863
[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339114
N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 106693238
N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874
N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094789
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 114646323
[(4-bromo-1-ethylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methyl]hydrazine
CID 105336201
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
N-[(2-chloro-4-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 114650305

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine (CID 105186702) is N-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine is CCCNC(c1ccncc1Cl)c1c(OC)cnn1CC.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is IYHMWSSGGATQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-4-7-18-14(11-6-8-17-9-12(11)16)15-13(21-3)10-19-20(15)5-2/h6,8-10,14,18H,4-5,7H2,1-3H3.
What are the key properties of N-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine?
N-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 308.81 g/mol, XLogP of 3.05, 7 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)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105186702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).