1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine

C14H25N5 — CID 110031890

IUPAC1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
SMILESCc1nn(C)c(C)c1CCC/N=C(\N)N(C)C1CC1
InChIInChI=1S/C14H25N5/c1-10-13(11(2)19(4)17-10)6-5-9-16-14(15)18(3)12-7-8-12/h12H,5-9H2,1-4H3,(H2,15,16)
InChIKeyQKJJERNDAVGHBV-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.38
Rot. Bonds5

About 1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine

1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine (PubChem CID 110031890) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
PubChem CID110031890
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
SMILESCc1nn(C)c(C)c1CCC/N=C(\N)N(C)C1CC1
InChIInChI=1S/C14H25N5/c1-10-13(11(2)19(4)17-10)6-5-9-16-14(15)18(3)12-7-8-12/h12H,5-9H2,1-4H3,(H2,15,16)
InChIKeyQKJJERNDAVGHBV-UHFFFAOYSA-N
XLogP1.38
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine (CID 110031890) is 1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine is Cc1nn(C)c(C)c1CCC/N=C(\N)N(C)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine?
The InChIKey is QKJJERNDAVGHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-10-13(11(2)19(4)17-10)6-5-9-16-14(15)18(3)12-7-8-12/h12H,5-9H2,1-4H3,(H2,15,16).
What are the key properties of 1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine?
1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine has a molecular weight of 263.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine is sourced from PubChem (CID 110031890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).