(3R)-3-(4-methylpyrazol-1-yl)butanenitrile

C8H11N3 — CID 42573807

IUPAC(3R)-3-(4-methylpyrazol-1-yl)butanenitrile
SMILESCc1cnn([C@H](C)CC#N)c1
InChIInChI=1S/C8H11N3/c1-7-5-10-11(6-7)8(2)3-4-9/h5-6,8H,3H2,1-2H3/t8-/m1/s1
InChIKeyUXEKGHXRDHVTHZ-MRVPVSSYSA-N
MW149.20 g/mol
LogP1.67
Rot. Bonds2

About (3R)-3-(4-methylpyrazol-1-yl)butanenitrile

(3R)-3-(4-methylpyrazol-1-yl)butanenitrile (PubChem CID 42573807) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (3R)-3-(4-methylpyrazol-1-yl)butanenitrile.

Molecular Properties

Compound Name(3R)-3-(4-methylpyrazol-1-yl)butanenitrile
PubChem CID42573807
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(3R)-3-(4-methylpyrazol-1-yl)butanenitrile
SMILESCc1cnn([C@H](C)CC#N)c1
InChIInChI=1S/C8H11N3/c1-7-5-10-11(6-7)8(2)3-4-9/h5-6,8H,3H2,1-2H3/t8-/m1/s1
InChIKeyUXEKGHXRDHVTHZ-MRVPVSSYSA-N
XLogP1.67
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methylpyrazol-1-yl)butanenitrile?
The IUPAC name of (3R)-3-(4-methylpyrazol-1-yl)butanenitrile (CID 42573807) is (3R)-3-(4-methylpyrazol-1-yl)butanenitrile.
What is the SMILES notation for (3R)-3-(4-methylpyrazol-1-yl)butanenitrile?
The canonical SMILES for (3R)-3-(4-methylpyrazol-1-yl)butanenitrile is Cc1cnn([C@H](C)CC#N)c1.
What is the InChIKey of (3R)-3-(4-methylpyrazol-1-yl)butanenitrile?
The InChIKey is UXEKGHXRDHVTHZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11N3/c1-7-5-10-11(6-7)8(2)3-4-9/h5-6,8H,3H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-3-(4-methylpyrazol-1-yl)butanenitrile?
(3R)-3-(4-methylpyrazol-1-yl)butanenitrile has a molecular weight of 149.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methylpyrazol-1-yl)butanenitrile is sourced from PubChem (CID 42573807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).