N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide

C14H21FN6 — CID 123691679

IUPACN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC(F)CC1
InChIInChI=1S/C14H21FN6/c15-10-3-5-21(6-4-10)13(17)8-12(16)18-14-7-11(19-20-14)9-1-2-9/h7,9-10,17H,1-6,8H2,(H3,16,18,19,20)/b17-13+
InChIKeyPXDKLHTUSNZSAN-GHRIWEEISA-N
MW292.36 g/mol
LogP2.08
Rot. Bonds4

About N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide (PubChem CID 123691679) has the molecular formula C14H21FN6 and a molecular weight of 292.36 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide
PubChem CID123691679
Molecular FormulaC14H21FN6
Molecular Weight292.36 g/mol
Exact Mass292.18
IUPAC NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC(F)CC1
InChIInChI=1S/C14H21FN6/c15-10-3-5-21(6-4-10)13(17)8-12(16)18-14-7-11(19-20-14)9-1-2-9/h7,9-10,17H,1-6,8H2,(H3,16,18,19,20)/b17-13+
InChIKeyPXDKLHTUSNZSAN-GHRIWEEISA-N
XLogP2.08
TPSA94.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide?
The IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide (CID 123691679) is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide.
What is the SMILES notation for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide?
The canonical SMILES for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC(F)CC1.
What is the InChIKey of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide?
The InChIKey is PXDKLHTUSNZSAN-GHRIWEEISA-N. The full InChI is InChI=1S/C14H21FN6/c15-10-3-5-21(6-4-10)13(17)8-12(16)18-14-7-11(19-20-14)9-1-2-9/h7,9-10,17H,1-6,8H2,(H3,16,18,19,20)/b17-13+.
What are the key properties of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide?
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide has a molecular weight of 292.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide is sourced from PubChem (CID 123691679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).