5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide

C14H25N5 — CID 78950744

IUPAC5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CCC(C)C)C1CC1
InChIInChI=1S/C14H25N5/c1-9(2)7-8-19(11-5-6-11)14-12(13(15)16)10(3)17-18(14)4/h9,11H,5-8H2,1-4H3,(H3,15,16)
InChIKeyABEOBDDGSYDLKK-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.03
Rot. Bonds6

About 5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide

5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 78950744) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID78950744
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CCC(C)C)C1CC1
InChIInChI=1S/C14H25N5/c1-9(2)7-8-19(11-5-6-11)14-12(13(15)16)10(3)17-18(14)4/h9,11H,5-8H2,1-4H3,(H3,15,16)
InChIKeyABEOBDDGSYDLKK-UHFFFAOYSA-N
XLogP2.03
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (CID 78950744) is 5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N(CCC(C)C)C1CC1.
What is the InChIKey of 5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is ABEOBDDGSYDLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-9(2)7-8-19(11-5-6-11)14-12(13(15)16)10(3)17-18(14)4/h9,11H,5-8H2,1-4H3,(H3,15,16).
What are the key properties of 5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 263.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 78950744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).