N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine

C13H17ClN4 — CID 114647242

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1c(Cl)cnn1C
InChIInChI=1S/C13H17ClN4/c1-3-6-16-12(10-4-7-15-8-5-10)13-11(14)9-17-18(13)2/h4-5,7-9,12,16H,3,6H2,1-2H3
InChIKeyVWRLSLYQARKTCA-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.56
Rot. Bonds5

About N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine

N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine (PubChem CID 114647242) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine
PubChem CID114647242
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1c(Cl)cnn1C
InChIInChI=1S/C13H17ClN4/c1-3-6-16-12(10-4-7-15-8-5-10)13-11(14)9-17-18(13)2/h4-5,7-9,12,16H,3,6H2,1-2H3
InChIKeyVWRLSLYQARKTCA-UHFFFAOYSA-N
XLogP2.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114659883
[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196547
N-[(4-chloro-1-methylpyrazol-5-yl)-(2-chlorophenyl)methyl]propan-1-amine
CID 114649321
N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106693217
N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114659313
N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 105046701
N-[(4-chloro-1-methylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114651569
N-[(5-chloro-2-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105046381
1-(4-chloro-1-methylpyrazol-5-yl)-N-propylpropan-1-amine
CID 114647778
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755877
N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105186345
1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylbutan-1-amine
CID 114647517

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine (CID 114647242) is N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine is CCCNC(c1ccncc1)c1c(Cl)cnn1C.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine?
The InChIKey is VWRLSLYQARKTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-3-6-16-12(10-4-7-15-8-5-10)13-11(14)9-17-18(13)2/h4-5,7-9,12,16H,3,6H2,1-2H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine?
N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine has a molecular weight of 264.76 g/mol, XLogP of 2.56, 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)-pyridin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 114647242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).