6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine

C14H19N5O2 — CID 133459767

IUPAC6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine
SMILESCc1nc(Nc2ccn(CCC(C)C)n2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O2/c1-10(2)6-8-18-9-7-14(17-18)16-13-5-4-12(19(20)21)11(3)15-13/h4-5,7,9-10H,6,8H2,1-3H3,(H,15,16,17)
InChIKeyVDHKEJYIXLBOLT-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.28
Rot. Bonds6

About 6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine

6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine (PubChem CID 133459767) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine
PubChem CID133459767
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine
SMILESCc1nc(Nc2ccn(CCC(C)C)n2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O2/c1-10(2)6-8-18-9-7-14(17-18)16-13-5-4-12(19(20)21)11(3)15-13/h4-5,7,9-10H,6,8H2,1-3H3,(H,15,16,17)
InChIKeyVDHKEJYIXLBOLT-UHFFFAOYSA-N
XLogP3.28
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine
CID 115921806
N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine
CID 115921805
N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712210
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 11447797
N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 102698850
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
3-[(6-methyl-5-nitro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 103764733
6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
CID 133446818
2-methoxy-N-(6-methyl-5-nitro-2-pyridinyl)acetamide
CID 67266270
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 11424958
N-hex-1-yn-3-yl-6-methyl-5-nitropyridin-2-amine
CID 106231548

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine?
The IUPAC name of 6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine (CID 133459767) is 6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine?
The canonical SMILES for 6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine is Cc1nc(Nc2ccn(CCC(C)C)n2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine?
The InChIKey is VDHKEJYIXLBOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10(2)6-8-18-9-7-14(17-18)16-13-5-4-12(19(20)21)11(3)15-13/h4-5,7,9-10H,6,8H2,1-3H3,(H,15,16,17).
What are the key properties of 6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine?
6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine is sourced from PubChem (CID 133459767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).