4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile

C10H16N4 — CID 43647483

IUPAC4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile
SMILESCc1nn(CCCC#N)c(C)c1CN
InChIInChI=1S/C10H16N4/c1-8-10(7-12)9(2)14(13-8)6-4-3-5-11/h3-4,6-7,12H2,1-2H3
InChIKeyUCVBAXDUQZDYEE-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.26
Rot. Bonds4

About 4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile

4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile (PubChem CID 43647483) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile.

Molecular Properties

Compound Name4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile
PubChem CID43647483
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile
SMILESCc1nn(CCCC#N)c(C)c1CN
InChIInChI=1S/C10H16N4/c1-8-10(7-12)9(2)14(13-8)6-4-3-5-11/h3-4,6-7,12H2,1-2H3
InChIKeyUCVBAXDUQZDYEE-UHFFFAOYSA-N
XLogP1.26
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile
CID 79219987
(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine
CID 104811561
[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine
CID 43647568
2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol
CID 61071648
4-(4,5-dimethylimidazol-1-yl)butanenitrile
CID 62350743
2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine
CID 62729687
[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine
CID 64773488
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647536
[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 65445831
[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine
CID 66141535
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide
CID 134063394
[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 62956158

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile?
The IUPAC name of 4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile (CID 43647483) is 4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile.
What is the SMILES notation for 4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile?
The canonical SMILES for 4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile is Cc1nn(CCCC#N)c(C)c1CN.
What is the InChIKey of 4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile?
The InChIKey is UCVBAXDUQZDYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-8-10(7-12)9(2)14(13-8)6-4-3-5-11/h3-4,6-7,12H2,1-2H3.
What are the key properties of 4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile?
4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile has a molecular weight of 192.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile is sourced from PubChem (CID 43647483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).