1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine

C8H13N7 — CID 20567847

IUPAC1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine
SMILESN#CN/C(N)=N/CCCNc1ccn[nH]1
InChIInChI=1S/C8H13N7/c9-6-13-8(10)12-4-1-3-11-7-2-5-14-15-7/h2,5H,1,3-4H2,(H3,10,12,13)(H2,11,14,15)
InChIKeyDIKOMWUHCFDKAX-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.40
Rot. Bonds5

About 1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine

1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine (PubChem CID 20567847) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine.

Molecular Properties

Compound Name1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine
PubChem CID20567847
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine
SMILESN#CN/C(N)=N/CCCNc1ccn[nH]1
InChIInChI=1S/C8H13N7/c9-6-13-8(10)12-4-1-3-11-7-2-5-14-15-7/h2,5H,1,3-4H2,(H3,10,12,13)(H2,11,14,15)
InChIKeyDIKOMWUHCFDKAX-UHFFFAOYSA-N
XLogP-0.40
TPSA114.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine?
The IUPAC name of 1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine (CID 20567847) is 1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine.
What is the SMILES notation for 1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine?
The canonical SMILES for 1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine is N#CN/C(N)=N/CCCNc1ccn[nH]1.
What is the InChIKey of 1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine?
The InChIKey is DIKOMWUHCFDKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c9-6-13-8(10)12-4-1-3-11-7-2-5-14-15-7/h2,5H,1,3-4H2,(H3,10,12,13)(H2,11,14,15).
What are the key properties of 1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine?
1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine has a molecular weight of 207.24 g/mol, XLogP of -0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[3-(1H-pyrazol-5-ylamino)propyl]guanidine is sourced from PubChem (CID 20567847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).