1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine

C9H13N5O — CID 116792438

IUPAC1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine
SMILESCc1nn(C)c(Oc2cnn(C)c2)c1N
InChIInChI=1S/C9H13N5O/c1-6-8(10)9(14(3)12-6)15-7-4-11-13(2)5-7/h4-5H,10H2,1-3H3
InChIKeySDLLDHCPMPEXAK-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.84
Rot. Bonds2

About 1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine

1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine (PubChem CID 116792438) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine
PubChem CID116792438
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine
SMILESCc1nn(C)c(Oc2cnn(C)c2)c1N
InChIInChI=1S/C9H13N5O/c1-6-8(10)9(14(3)12-6)15-7-4-11-13(2)5-7/h4-5H,10H2,1-3H3
InChIKeySDLLDHCPMPEXAK-UHFFFAOYSA-N
XLogP0.84
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine (CID 116792438) is 1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine is Cc1nn(C)c(Oc2cnn(C)c2)c1N.
What is the InChIKey of 1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine?
The InChIKey is SDLLDHCPMPEXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6-8(10)9(14(3)12-6)15-7-4-11-13(2)5-7/h4-5H,10H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine?
1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine has a molecular weight of 207.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine is sourced from PubChem (CID 116792438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).