N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine

C14H19ClN4 — CID 83164197

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine
SMILESCn1cc(CNc2cnccc2Cl)c(C(C)(C)C)n1
InChIInChI=1S/C14H19ClN4/c1-14(2,3)13-10(9-19(4)18-13)7-17-12-8-16-6-5-11(12)15/h5-6,8-9,17H,7H2,1-4H3
InChIKeyOJUFLEKQMZXEIB-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.38
Rot. Bonds3

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine (PubChem CID 83164197) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine
PubChem CID83164197
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine
SMILESCn1cc(CNc2cnccc2Cl)c(C(C)(C)C)n1
InChIInChI=1S/C14H19ClN4/c1-14(2,3)13-10(9-19(4)18-13)7-17-12-8-16-6-5-11(12)15/h5-6,8-9,17H,7H2,1-4H3
InChIKeyOJUFLEKQMZXEIB-UHFFFAOYSA-N
XLogP3.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine (CID 83164197) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine is Cn1cc(CNc2cnccc2Cl)c(C(C)(C)C)n1.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine?
The InChIKey is OJUFLEKQMZXEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-14(2,3)13-10(9-19(4)18-13)7-17-12-8-16-6-5-11(12)15/h5-6,8-9,17H,7H2,1-4H3.
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine has a molecular weight of 278.79 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine is sourced from PubChem (CID 83164197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).