5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile

C14H22N6 — CID 102796207

IUPAC5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile
SMILESCC(C1CC1)n1nc(N2CCCNCC2)c(C#N)c1N
InChIInChI=1S/C14H22N6/c1-10(11-3-4-11)20-13(16)12(9-15)14(18-20)19-7-2-5-17-6-8-19/h10-11,17H,2-8,16H2,1H3
InChIKeyRDIHOGGPLJOARN-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.11
Rot. Bonds3

About 5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile

5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile (PubChem CID 102796207) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile
PubChem CID102796207
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile
SMILESCC(C1CC1)n1nc(N2CCCNCC2)c(C#N)c1N
InChIInChI=1S/C14H22N6/c1-10(11-3-4-11)20-13(16)12(9-15)14(18-20)19-7-2-5-17-6-8-19/h10-11,17H,2-8,16H2,1H3
InChIKeyRDIHOGGPLJOARN-UHFFFAOYSA-N
XLogP1.11
TPSA82.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-(1,4-diazepan-1-yl)-1-methylpyrazole-4-carbonitrile
CID 102795417
5-amino-3-(1,4-diazepan-1-yl)-1-(3-methylbutyl)pyrazole-4-carbonitrile
CID 102796236
5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile
CID 102795336
5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102796212
5-amino-1-(2-ethylsulfonylethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile
CID 102796697
5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795651
5-amino-1-(5-bromo-2-pyridinyl)-3-piperazin-1-ylpyrazole-4-carbonitrile
CID 102796725
5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 102795684
5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile
CID 63788797
3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 18526471
5-amino-3-(4-bromophenyl)-1-[1-(oxan-4-yl)ethyl]pyrazole-4-carbonitrile
CID 129248126
1-butan-2-yl-4-methylsulfonyl-3-piperazin-1-ylpyrazol-5-amine
CID 102826070

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile (CID 102796207) is 5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile is CC(C1CC1)n1nc(N2CCCNCC2)c(C#N)c1N.
What is the InChIKey of 5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile?
The InChIKey is RDIHOGGPLJOARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-10(11-3-4-11)20-13(16)12(9-15)14(18-20)19-7-2-5-17-6-8-19/h10-11,17H,2-8,16H2,1H3.
What are the key properties of 5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile?
5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102796207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).