1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile

C14H19N5O — CID 170571684

IUPAC1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile
SMILESCC(C)N1CCC2(CCN2C(=O)n2cc(C#N)cn2)C1
InChIInChI=1S/C14H19N5O/c1-11(2)17-5-3-14(10-17)4-6-18(14)13(20)19-9-12(7-15)8-16-19/h8-9,11H,3-6,10H2,1-2H3
InChIKeyNINDXBPYMNXBSZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.28
Rot. Bonds1

About 1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile

1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile (PubChem CID 170571684) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile
PubChem CID170571684
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile
SMILESCC(C)N1CCC2(CCN2C(=O)n2cc(C#N)cn2)C1
InChIInChI=1S/C14H19N5O/c1-11(2)17-5-3-14(10-17)4-6-18(14)13(20)19-9-12(7-15)8-16-19/h8-9,11H,3-6,10H2,1-2H3
InChIKeyNINDXBPYMNXBSZ-UHFFFAOYSA-N
XLogP1.28
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone
CID 171423080
(8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 170405918
(2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone
CID 170405916
1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile
CID 118526914
2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile
CID 171423088
1-(4-acetyl-1,4-diazepane-1-carbonyl)pyrazole-4-carbonitrile
CID 118526729
8-propan-2-yl-1,8-diazaspiro[3.5]nonane-1-carboxamide
CID 170571730
[4-(4-cyanopyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinic acid
CID 130187545
ethane;1-propan-2-ylpyrazole-4-carbonitrile
CID 162755432
(7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 171423062
7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile
CID 164922080
(5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 170405453

Frequently Asked Questions

What is the IUPAC name of 1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile (CID 170571684) is 1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile is CC(C)N1CCC2(CCN2C(=O)n2cc(C#N)cn2)C1.
What is the InChIKey of 1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile?
The InChIKey is NINDXBPYMNXBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(2)17-5-3-14(10-17)4-6-18(14)13(20)19-9-12(7-15)8-16-19/h8-9,11H,3-6,10H2,1-2H3.
What are the key properties of 1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile?
1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 170571684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).