2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine

C20H26N6O2 — CID 11773483

IUPAC2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ncc([N+](=O)[O-])cc3C)c(C)nn12
InChIInChI=1S/C20H26N6O2/c1-6-8-24(9-7-2)17-11-14(4)22-20-18(15(5)23-25(17)20)19-13(3)10-16(12-21-19)26(27)28/h10-12H,6-9H2,1-5H3
InChIKeyGYFFFGHMKGSACD-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.25
Rot. Bonds7

About 2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11773483) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11773483
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ncc([N+](=O)[O-])cc3C)c(C)nn12
InChIInChI=1S/C20H26N6O2/c1-6-8-24(9-7-2)17-11-14(4)22-20-18(15(5)23-25(17)20)19-13(3)10-16(12-21-19)26(27)28/h10-12H,6-9H2,1-5H3
InChIKeyGYFFFGHMKGSACD-UHFFFAOYSA-N
XLogP4.25
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11773483) is 2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is CCCN(CCC)c1cc(C)nc2c(-c3ncc([N+](=O)[O-])cc3C)c(C)nn12.
What is the InChIKey of 2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GYFFFGHMKGSACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-6-8-24(9-7-2)17-11-14(4)22-20-18(15(5)23-25(17)20)19-13(3)10-16(12-21-19)26(27)28/h10-12H,6-9H2,1-5H3.
What are the key properties of 2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 382.47 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11773483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).