1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide

C13H22N6 — CID 123192880

IUPAC1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N(CC)CC
InChIInChI=1S/C13H22N6/c1-3-19(4-2)12(15)8-11(14)16-13-7-10(17-18-13)9-5-6-9/h7,9,15H,3-6,8H2,1-2H3,(H3,14,16,17,18)/b15-12-
InChIKeyBIKBZJIZHRIVFL-QINSGFPZSA-N
MW262.36 g/mol
LogP1.98
Rot. Bonds6

About 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide

1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide (PubChem CID 123192880) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide.

Molecular Properties

Compound Name1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide
PubChem CID123192880
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N(CC)CC
InChIInChI=1S/C13H22N6/c1-3-19(4-2)12(15)8-11(14)16-13-7-10(17-18-13)9-5-6-9/h7,9,15H,3-6,8H2,1-2H3,(H3,14,16,17,18)/b15-12-
InChIKeyBIKBZJIZHRIVFL-QINSGFPZSA-N
XLogP1.98
TPSA94.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(piperidin-4-yl)-1H-pyrazol-5-amine
CID 45792668
1-(3-cyclopropyl-1H-pyrazol-5-yl)piperazine
CID 63049913
(E)-N-(1-bromoethenyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluorobut-2-enimidamide
CID 90383894
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide
CID 123691679
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide
CID 123827341
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123884886
5-(2,2-difluorocyclopropyl)-N,N-dimethyl-1H-pyrazol-3-amine
CID 132183397
5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 135306123
N-(5-(tert-butyl)-1H-pyrazol-3-yl)-2-chloro-4a,7a-dihydro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135398494
N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide
CID 10511594
N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide
CID 10535830
N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide
CID 10654969

Frequently Asked Questions

What is the IUPAC name of 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide?
The IUPAC name of 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide (CID 123192880) is 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide.
What is the SMILES notation for 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide?
The canonical SMILES for 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide is [H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N(CC)CC.
What is the InChIKey of 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide?
The InChIKey is BIKBZJIZHRIVFL-QINSGFPZSA-N. The full InChI is InChI=1S/C13H22N6/c1-3-19(4-2)12(15)8-11(14)16-13-7-10(17-18-13)9-5-6-9/h7,9,15H,3-6,8H2,1-2H3,(H3,14,16,17,18)/b15-12-.
What are the key properties of 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide?
1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide has a molecular weight of 262.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide is sourced from PubChem (CID 123192880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).