5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile

C6H9N5 — CID 20666574

IUPAC5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile
SMILESCCNc1n[nH]c(N)c1C#N
InChIInChI=1S/C6H9N5/c1-2-9-6-4(3-7)5(8)10-11-6/h2H2,1H3,(H4,8,9,10,11)
InChIKeyPKECBHPPRQEQGV-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.30
Rot. Bonds2

About 5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile

5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile (PubChem CID 20666574) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile
PubChem CID20666574
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile
SMILESCCNc1n[nH]c(N)c1C#N
InChIInChI=1S/C6H9N5/c1-2-9-6-4(3-7)5(8)10-11-6/h2H2,1H3,(H4,8,9,10,11)
InChIKeyPKECBHPPRQEQGV-UHFFFAOYSA-N
XLogP0.30
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile (CID 20666574) is 5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile is CCNc1n[nH]c(N)c1C#N.
What is the InChIKey of 5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile?
The InChIKey is PKECBHPPRQEQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-2-9-6-4(3-7)5(8)10-11-6/h2H2,1H3,(H4,8,9,10,11).
What are the key properties of 5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile?
5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile has a molecular weight of 151.17 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(ethylamino)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 20666574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).