N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide

C15H24FN7 — CID 123827341

IUPACN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(CCF)CC1
InChIInChI=1S/C15H24FN7/c16-3-4-22-5-7-23(8-6-22)14(18)10-13(17)19-15-9-12(20-21-15)11-1-2-11/h9,11,18H,1-8,10H2,(H3,17,19,20,21)/b18-14+
InChIKeyUCQIEZRVOGOGMW-NBVRZTHBSA-N
MW321.40 g/mol
LogP1.23
Rot. Bonds6

About N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide (PubChem CID 123827341) has the molecular formula C15H24FN7 and a molecular weight of 321.40 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide
PubChem CID123827341
Molecular FormulaC15H24FN7
Molecular Weight321.40 g/mol
Exact Mass321.21
IUPAC NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(CCF)CC1
InChIInChI=1S/C15H24FN7/c16-3-4-22-5-7-23(8-6-22)14(18)10-13(17)19-15-9-12(20-21-15)11-1-2-11/h9,11,18H,1-8,10H2,(H3,17,19,20,21)/b18-14+
InChIKeyUCQIEZRVOGOGMW-NBVRZTHBSA-N
XLogP1.23
TPSA97.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.23
H-Bond Donors ≤ 53
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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Related Compounds

3-(piperidin-4-yl)-1H-pyrazol-5-amine
CID 45792668
1-(3-cyclopropyl-1H-pyrazol-5-yl)piperazine
CID 63049913
1-[3-(1-methylcyclopropyl)-1H-pyrazol-5-yl]piperazine
CID 75356561
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-propylpiperazine-1-sulfonamide
CID 132383325
3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 123441939
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
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123884886
5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 135306123
1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine
CID 154741570
(E)-N'-(3-isopropyl-1H-pyrazol-5-yl)-N,N-dimethylformimidamide
CID 66643263
1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(2-piperidin-1-ylethyl)urea
CID 69501400

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide?
The IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide (CID 123827341) is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide.
What is the SMILES notation for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide?
The canonical SMILES for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(CCF)CC1.
What is the InChIKey of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide?
The InChIKey is UCQIEZRVOGOGMW-NBVRZTHBSA-N. The full InChI is InChI=1S/C15H24FN7/c16-3-4-22-5-7-23(8-6-22)14(18)10-13(17)19-15-9-12(20-21-15)11-1-2-11/h9,11,18H,1-8,10H2,(H3,17,19,20,21)/b18-14+.
What are the key properties of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide?
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide has a molecular weight of 321.40 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide is sourced from PubChem (CID 123827341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).