5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile

C14H16N6O — CID 71418634

IUPAC5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(N3CCOCC3)cc2)n[nH]c1N
InChIInChI=1S/C14H16N6O/c15-9-12-13(16)18-19-14(12)17-10-1-3-11(4-2-10)20-5-7-21-8-6-20/h1-4H,5-8H2,(H4,16,17,18,19)
InChIKeyAMJDNMDRTFWNDV-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.44
Rot. Bonds3

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

5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile (PubChem CID 71418634) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile
PubChem CID71418634
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(N3CCOCC3)cc2)n[nH]c1N
InChIInChI=1S/C14H16N6O/c15-9-12-13(16)18-19-14(12)17-10-1-3-11(4-2-10)20-5-7-21-8-6-20/h1-4H,5-8H2,(H4,16,17,18,19)
InChIKeyAMJDNMDRTFWNDV-UHFFFAOYSA-N
XLogP1.44
TPSA102.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile (CID 71418634) is 5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile is N#Cc1c(Nc2ccc(N3CCOCC3)cc2)n[nH]c1N.
What is the InChIKey of 5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile?
The InChIKey is AMJDNMDRTFWNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-9-12-13(16)18-19-14(12)17-10-1-3-11(4-2-10)20-5-7-21-8-6-20/h1-4H,5-8H2,(H4,16,17,18,19).
What are the key properties of 5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile?
5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 71418634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).