N-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide

C11H21N5 — CID 66120240

IUPACN-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide
SMILESCCc1cc(/C(=N/C(C)C)NN)n(CC)n1
InChIInChI=1S/C11H21N5/c1-5-9-7-10(16(6-2)15-9)11(14-12)13-8(3)4/h7-8H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyTWDNEQYWCXMHFO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.08
Rot. Bonds4

About N-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide

N-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide (PubChem CID 66120240) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide.

Molecular Properties

Compound NameN-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide
PubChem CID66120240
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide
SMILESCCc1cc(/C(=N/C(C)C)NN)n(CC)n1
InChIInChI=1S/C11H21N5/c1-5-9-7-10(16(6-2)15-9)11(14-12)13-8(3)4/h7-8H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyTWDNEQYWCXMHFO-UHFFFAOYSA-N
XLogP1.08
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-cyclopropyl-1,3-diethylpyrazole-5-carboximidamide
CID 66120241
N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 106356961
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
N-(1-amino-1-sulfanylidenepropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66121975
methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate
CID 66120831
1,3-diethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrazole-5-carboxamide
CID 106352951
N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121415
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018
1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
CID 102914495
1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
CID 66121592
N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 104556601

Frequently Asked Questions

What is the IUPAC name of N-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide?
The IUPAC name of N-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide (CID 66120240) is N-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide.
What is the SMILES notation for N-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide?
The canonical SMILES for N-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide is CCc1cc(/C(=N/C(C)C)NN)n(CC)n1.
What is the InChIKey of N-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide?
The InChIKey is TWDNEQYWCXMHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-5-9-7-10(16(6-2)15-9)11(14-12)13-8(3)4/h7-8H,5-6,12H2,1-4H3,(H,13,14).
What are the key properties of N-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide?
N-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide has a molecular weight of 223.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-1,3-diethyl-N'-propan-2-ylpyrazole-5-carboximidamide is sourced from PubChem (CID 66120240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).