3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

C12H19FN6 — CID 123441939

IUPAC3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCC(F)CC1
InChIInChI=1S/C12H19FN6/c1-8-6-12(18-17-8)16-10(14)7-11(15)19-4-2-9(13)3-5-19/h6,9,15H,2-5,7H2,1H3,(H3,14,16,17,18)/b15-11+
InChIKeyCYTDIRMUFSBCAS-RVDMUPIBSA-N
MW266.32 g/mol
LogP1.51
Rot. Bonds3

About 3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (PubChem CID 123441939) has the molecular formula C12H19FN6 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.

Molecular Properties

Compound Name3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
PubChem CID123441939
Molecular FormulaC12H19FN6
Molecular Weight266.32 g/mol
Exact Mass266.17
IUPAC Name3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCC(F)CC1
InChIInChI=1S/C12H19FN6/c1-8-6-12(18-17-8)16-10(14)7-11(15)19-4-2-9(13)3-5-19/h6,9,15H,2-5,7H2,1H3,(H3,14,16,17,18)/b15-11+
InChIKeyCYTDIRMUFSBCAS-RVDMUPIBSA-N
XLogP1.51
TPSA94.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.51
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

1-(3-methyl-1H-pyrazol-5-yl)piperidin-4-amine
CID 75480354
3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123255025
3-[4-(2-fluoroethyl)piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 123458499
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide
CID 123691679
3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123693705
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide
CID 123827341
3-[4-(2-fluoroethyl)piperazin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123856406
3-(4-fluoropiperidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123901834
N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)diazenyl]ethanamine
CID 135440283
1-(5-Trifluoromethyl-2H-pyrazol-3-yl)-piperidine
CID 56965583
Pyrazol-5-amine, 3-methyl-N-dimethylaminomethylene-
CID 592274
(E)-3-amino-3-(4-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide
CID 68400122

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The IUPAC name of 3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (CID 123441939) is 3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.
What is the SMILES notation for 3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The canonical SMILES for 3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCC(F)CC1.
What is the InChIKey of 3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The InChIKey is CYTDIRMUFSBCAS-RVDMUPIBSA-N. The full InChI is InChI=1S/C12H19FN6/c1-8-6-12(18-17-8)16-10(14)7-11(15)19-4-2-9(13)3-5-19/h6,9,15H,2-5,7H2,1H3,(H3,14,16,17,18)/b15-11+.
What are the key properties of 3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide has a molecular weight of 266.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is sourced from PubChem (CID 123441939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).