N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine

C15H21ClN4 — CID 133477273

IUPACN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H21ClN4/c1-10(18-14-7-6-12(16)8-17-14)13-9-20(15(3,4)5)19-11(13)2/h6-10H,1-5H3,(H,17,18)
InChIKeyNODWICMUODRZAK-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.17
Rot. Bonds3

About N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine (PubChem CID 133477273) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine
PubChem CID133477273
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H21ClN4/c1-10(18-14-7-6-12(16)8-17-14)13-9-20(15(3,4)5)19-11(13)2/h6-10H,1-5H3,(H,17,18)
InChIKeyNODWICMUODRZAK-UHFFFAOYSA-N
XLogP4.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine
CID 133477434
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-ethylpyridine-3-carboxamide
CID 133477615
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-propylpyridine-3-carboxamide
CID 133477603
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133477635
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
CID 133477637
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 154736177
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
1-tert-butyl-3-methyl-4-propan-2-ylpyrazole
CID 126758593
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133477612
2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133477462
(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine
CID 51893143

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine?
The IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine (CID 133477273) is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine.
What is the SMILES notation for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine?
The canonical SMILES for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine is Cc1nn(C(C)(C)C)cc1C(C)Nc1ccc(Cl)cn1.
What is the InChIKey of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine?
The InChIKey is NODWICMUODRZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-10(18-14-7-6-12(16)8-17-14)13-9-20(15(3,4)5)19-11(13)2/h6-10H,1-5H3,(H,17,18).
What are the key properties of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine?
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine has a molecular weight of 292.81 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 133477273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).