2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine

C11H17N7 — CID 110913354

IUPAC2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine
SMILESN#Cc1c(N)n[nH]c1CCC/N=C(\N)NC1CC1
InChIInChI=1S/C11H17N7/c12-6-8-9(17-18-10(8)13)2-1-5-15-11(14)16-7-3-4-7/h7H,1-5H2,(H3,13,17,18)(H3,14,15,16)
InChIKeyVRDXVLVEOHQACT-UHFFFAOYSA-N
MW247.31 g/mol
LogP-0.14
Rot. Bonds5

About 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine

2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine (PubChem CID 110913354) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine.

Molecular Properties

Compound Name2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine
PubChem CID110913354
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine
SMILESN#Cc1c(N)n[nH]c1CCC/N=C(\N)NC1CC1
InChIInChI=1S/C11H17N7/c12-6-8-9(17-18-10(8)13)2-1-5-15-11(14)16-7-3-4-7/h7H,1-5H2,(H3,13,17,18)(H3,14,15,16)
InChIKeyVRDXVLVEOHQACT-UHFFFAOYSA-N
XLogP-0.14
TPSA128.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine?
The IUPAC name of 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine (CID 110913354) is 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine.
What is the SMILES notation for 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine?
The canonical SMILES for 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine is N#Cc1c(N)n[nH]c1CCC/N=C(\N)NC1CC1.
What is the InChIKey of 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine?
The InChIKey is VRDXVLVEOHQACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c12-6-8-9(17-18-10(8)13)2-1-5-15-11(14)16-7-3-4-7/h7H,1-5H2,(H3,13,17,18)(H3,14,15,16).
What are the key properties of 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine?
2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine has a molecular weight of 247.31 g/mol, XLogP of -0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine is sourced from PubChem (CID 110913354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).