N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine

C14H19ClN4 — CID 83089816

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine
SMILESCn1cc(CNc2ccnc(Cl)c2)c(C(C)(C)C)n1
InChIInChI=1S/C14H19ClN4/c1-14(2,3)13-10(9-19(4)18-13)8-17-11-5-6-16-12(15)7-11/h5-7,9H,8H2,1-4H3,(H,16,17)
InChIKeyFJLTWNPHKHTUPM-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.38
Rot. Bonds3

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine (PubChem CID 83089816) 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]-2-chloropyridin-4-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine
PubChem CID83089816
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine
SMILESCn1cc(CNc2ccnc(Cl)c2)c(C(C)(C)C)n1
InChIInChI=1S/C14H19ClN4/c1-14(2,3)13-10(9-19(4)18-13)8-17-11-5-6-16-12(15)7-11/h5-7,9H,8H2,1-4H3,(H,16,17)
InChIKeyFJLTWNPHKHTUPM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 83089718
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,4,5-trichloroaniline
CID 83092160
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-ethoxyaniline
CID 83075774
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-ethynylaniline
CID 83086334
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine
CID 83164197
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 103887758
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine
CID 83090155
2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 80525912
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 83088560
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine
CID 83083511
2-bromo-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-chloroaniline
CID 103478063
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,4,5-trifluoroaniline
CID 83090340

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine (CID 83089816) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine is Cn1cc(CNc2ccnc(Cl)c2)c(C(C)(C)C)n1.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine?
The InChIKey is FJLTWNPHKHTUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-14(2,3)13-10(9-19(4)18-13)8-17-11-5-6-16-12(15)7-11/h5-7,9H,8H2,1-4H3,(H,16,17).
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-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]-2-chloropyridin-4-amine is sourced from PubChem (CID 83089816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).