5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile

C15H25N5 — CID 102796097

IUPAC5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile
SMILESCCN(CC)c1nn(C2CCCCCC2)c(N)c1C#N
InChIInChI=1S/C15H25N5/c1-3-19(4-2)15-13(11-16)14(17)20(18-15)12-9-7-5-6-8-10-12/h12H,3-10,17H2,1-2H3
InChIKeyMDPVCYXGGNTEPS-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.08
Rot. Bonds4

About 5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile

5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile (PubChem CID 102796097) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile
PubChem CID102796097
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile
SMILESCCN(CC)c1nn(C2CCCCCC2)c(N)c1C#N
InChIInChI=1S/C15H25N5/c1-3-19(4-2)15-13(11-16)14(17)20(18-15)12-9-7-5-6-8-10-12/h12H,3-10,17H2,1-2H3
InChIKeyMDPVCYXGGNTEPS-UHFFFAOYSA-N
XLogP3.08
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-cycloheptyl-3-(ethylamino)pyrazole-4-carbonitrile
CID 102796104
5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile
CID 102796086
5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
CID 102796047
5-amino-1-cyclohexyl-3-morpholin-4-ylpyrazole-4-carbonitrile
CID 102808763
3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile
CID 171987341
methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate
CID 102808760
5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 102795550
ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate
CID 102796587
2-[4-(5-amino-4-cyano-1-cyclobutylpyrazol-3-yl)phenyl]acetic acid
CID 164765583
1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826017
2-cyclopentyl-3,5-dioxo-4-propyl-1,2,4-triazine-6-carbonitrile
CID 46881995
2-cyclopentyl-6-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-amine
CID 105495296

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile (CID 102796097) is 5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile is CCN(CC)c1nn(C2CCCCCC2)c(N)c1C#N.
What is the InChIKey of 5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile?
The InChIKey is MDPVCYXGGNTEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-3-19(4-2)15-13(11-16)14(17)20(18-15)12-9-7-5-6-8-10-12/h12H,3-10,17H2,1-2H3.
What are the key properties of 5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile?
5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile has a molecular weight of 275.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102796097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).