3-amino-1-methylpyrazole-5-carbonitrile

C5H6N4 — CID 70479481

IUPAC3-amino-1-methylpyrazole-5-carbonitrile
SMILESCn1nc(N)cc1C#N
InChIInChI=1S/C5H6N4/c1-9-4(3-6)2-5(7)8-9/h2H,1H3,(H2,7,8)
InChIKeyRPNXNWDAOJTUKR-UHFFFAOYSA-N
MW122.13 g/mol
LogP-0.13
Rot. Bonds

About 3-amino-1-methylpyrazole-5-carbonitrile

3-amino-1-methylpyrazole-5-carbonitrile (PubChem CID 70479481) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol. Its IUPAC name is 3-amino-1-methylpyrazole-5-carbonitrile.

Molecular Properties

Compound Name3-amino-1-methylpyrazole-5-carbonitrile
PubChem CID70479481
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name3-amino-1-methylpyrazole-5-carbonitrile
SMILESCn1nc(N)cc1C#N
InChIInChI=1S/C5H6N4/c1-9-4(3-6)2-5(7)8-9/h2H,1H3,(H2,7,8)
InChIKeyRPNXNWDAOJTUKR-UHFFFAOYSA-N
XLogP-0.13
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dimethyl-1H-pyrazol-5-amine
CID 520721
1-Isopropyl-3-methyl-1H-pyrazol-5-amine
CID 121018
1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
(E)-3-(5-amino-3-methylpyrazol-1-yl)but-2-enenitrile
CID 854933
1,5-dimethyl-1H-pyrazol-3-amine
CID 7017747
5-amino-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 219870
5-Methyl-1-(1-methylethyl)-1H-pyrazol-3-amine
CID 7176029
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292
3-(5-amino-3-methyl-1H-pyrazol-1-yl)propanenitrile
CID 2328311
1-ethyl-5-methyl-1H-pyrazol-3-amine
CID 6485384
1-Sec-Butyl-3-Methyl-1H-Pyrazol-5-Amine
CID 19619868
5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19622835

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylpyrazole-5-carbonitrile?
The IUPAC name of 3-amino-1-methylpyrazole-5-carbonitrile (CID 70479481) is 3-amino-1-methylpyrazole-5-carbonitrile.
What is the SMILES notation for 3-amino-1-methylpyrazole-5-carbonitrile?
The canonical SMILES for 3-amino-1-methylpyrazole-5-carbonitrile is Cn1nc(N)cc1C#N.
What is the InChIKey of 3-amino-1-methylpyrazole-5-carbonitrile?
The InChIKey is RPNXNWDAOJTUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4/c1-9-4(3-6)2-5(7)8-9/h2H,1H3,(H2,7,8).
What are the key properties of 3-amino-1-methylpyrazole-5-carbonitrile?
3-amino-1-methylpyrazole-5-carbonitrile has a molecular weight of 122.13 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylpyrazole-5-carbonitrile is sourced from PubChem (CID 70479481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).