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

C14H19ClN4 — CID 114659883

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1C)c1c(Cl)cnn1C
InChIInChI=1S/C14H19ClN4/c1-4-6-17-13(11-5-7-16-8-10(11)2)14-12(15)9-18-19(14)3/h5,7-9,13,17H,4,6H2,1-3H3
InChIKeyBUYSZORDGMODPQ-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.87
Rot. Bonds5

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

N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine (PubChem CID 114659883) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
PubChem CID114659883
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1C)c1c(Cl)cnn1C
InChIInChI=1S/C14H19ClN4/c1-4-6-17-13(11-5-7-16-8-10(11)2)14-12(15)9-18-19(14)3/h5,7-9,13,17H,4,6H2,1-3H3
InChIKeyBUYSZORDGMODPQ-UHFFFAOYSA-N
XLogP2.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114647242
N-[(5-chloro-2-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105046381
N-[(4-chloro-1-methylpyrazol-5-yl)-(2-chlorophenyl)methyl]propan-1-amine
CID 114649321
N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105186345
N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106693217
N-[(4-chloro-1-methylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114651569
N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114659313
N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094789
1-(4-chloro-1-methylpyrazol-5-yl)-N-propylpropan-1-amine
CID 114647778
N-[(3-chloro-4-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 105175887
N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038130
N-[(2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 114649324

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine (CID 114659883) is N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccncc1C)c1c(Cl)cnn1C.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is BUYSZORDGMODPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-4-6-17-13(11-5-7-16-8-10(11)2)14-12(15)9-18-19(14)3/h5,7-9,13,17H,4,6H2,1-3H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine?
N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 278.79 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 114659883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).