3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile

C10H16N4 — CID 22217734

IUPAC3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile
SMILESCC(C)(C)c1cc(N)n(CCC#N)n1
InChIInChI=1S/C10H16N4/c1-10(2,3)8-7-9(12)14(13-8)6-4-5-11/h7H,4,6,12H2,1-3H3
InChIKeyNFAJISBMDNQHHO-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.68
Rot. Bonds2

About 3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile

3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile (PubChem CID 22217734) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile
PubChem CID22217734
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile
SMILESCC(C)(C)c1cc(N)n(CCC#N)n1
InChIInChI=1S/C10H16N4/c1-10(2,3)8-7-9(12)14(13-8)6-4-5-11/h7H,4,6,12H2,1-3H3
InChIKeyNFAJISBMDNQHHO-UHFFFAOYSA-N
XLogP1.68
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile?
The IUPAC name of 3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile (CID 22217734) is 3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile.
What is the SMILES notation for 3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile?
The canonical SMILES for 3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile is CC(C)(C)c1cc(N)n(CCC#N)n1.
What is the InChIKey of 3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile?
The InChIKey is NFAJISBMDNQHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-10(2,3)8-7-9(12)14(13-8)6-4-5-11/h7H,4,6,12H2,1-3H3.
What are the key properties of 3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile?
3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile has a molecular weight of 192.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-tert-butylpyrazol-1-yl)propanenitrile is sourced from PubChem (CID 22217734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).