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

C8H11N5 — CID 102795605

IUPAC5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(NCC2CC2)n[nH]c1N
InChIInChI=1S/C8H11N5/c9-3-6-7(10)12-13-8(6)11-4-5-1-2-5/h5H,1-2,4H2,(H4,10,11,12,13)
InChIKeyCYLOIBWLFQURLE-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.69
Rot. Bonds3

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

5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile (PubChem CID 102795605) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile
PubChem CID102795605
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(NCC2CC2)n[nH]c1N
InChIInChI=1S/C8H11N5/c9-3-6-7(10)12-13-8(6)11-4-5-1-2-5/h5H,1-2,4H2,(H4,10,11,12,13)
InChIKeyCYLOIBWLFQURLE-UHFFFAOYSA-N
XLogP0.69
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile (CID 102795605) is 5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile is N#Cc1c(NCC2CC2)n[nH]c1N.
What is the InChIKey of 5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile?
The InChIKey is CYLOIBWLFQURLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c9-3-6-7(10)12-13-8(6)11-4-5-1-2-5/h5H,1-2,4H2,(H4,10,11,12,13).
What are the key properties of 5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile?
5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 102795605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).