1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile

C12H16N6 — CID 63756811

IUPAC1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(C)Cn2cccn2)c1C#N
InChIInChI=1S/C12H16N6/c1-9(8-18-6-4-5-14-18)15-12-11(7-13)10(2)16-17(12)3/h4-6,9,15H,8H2,1-3H3
InChIKeyOWRCCFQYPWNHOM-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.30
Rot. Bonds4

About 1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile

1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile (PubChem CID 63756811) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile
PubChem CID63756811
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(C)Cn2cccn2)c1C#N
InChIInChI=1S/C12H16N6/c1-9(8-18-6-4-5-14-18)15-12-11(7-13)10(2)16-17(12)3/h4-6,9,15H,8H2,1-3H3
InChIKeyOWRCCFQYPWNHOM-UHFFFAOYSA-N
XLogP1.30
TPSA71.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.30
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-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile (CID 63756811) is 1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile is Cc1nn(C)c(NC(C)Cn2cccn2)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile?
The InChIKey is OWRCCFQYPWNHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-9(8-18-6-4-5-14-18)15-12-11(7-13)10(2)16-17(12)3/h4-6,9,15H,8H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile?
1,3-dimethyl-5-(1-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 1.30, 4 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-pyrazol-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 63756811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).