(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide

C18H27FN5P — CID 169170207

IUPAC(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide
SMILESC=C(/N=C(\C=C/C)Nc1cc(C2CC2)[nH]n1)N1CC(CC)C(F)(P)C1
InChIInChI=1S/C18H27FN5P/c1-4-6-16(21-17-9-15(22-23-17)13-7-8-13)20-12(3)24-10-14(5-2)18(19,25)11-24/h4,6,9,13-14H,3,5,7-8,10-11,25H2,1-2H3,(H2,20,21,22,23)/b6-4-
InChIKeyDWFKDASOZRKZNR-XQRVVYSFSA-N
MW363.42 g/mol
LogP4.03
Rot. Bonds6

About (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide

(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide (PubChem CID 169170207) has the molecular formula C18H27FN5P and a molecular weight of 363.42 g/mol. Its IUPAC name is (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide
PubChem CID169170207
Molecular FormulaC18H27FN5P
Molecular Weight363.42 g/mol
Exact Mass363.20
IUPAC Name(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide
SMILESC=C(/N=C(\C=C/C)Nc1cc(C2CC2)[nH]n1)N1CC(CC)C(F)(P)C1
InChIInChI=1S/C18H27FN5P/c1-4-6-16(21-17-9-15(22-23-17)13-7-8-13)20-12(3)24-10-14(5-2)18(19,25)11-24/h4,6,9,13-14H,3,5,7-8,10-11,25H2,1-2H3,(H2,20,21,22,23)/b6-4-
InChIKeyDWFKDASOZRKZNR-XQRVVYSFSA-N
XLogP4.03
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[3-[[(3Z)-hexa-1,3-dien-2-yl]-[N'-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]carbamimidoyl]amino]cyclopentyl]-1H-pyrazol-3-yl]-N'-methylprop-2-enimidamide
CID 162593114
(5-Cyclopropyl-2H-pyrazol-3-yl)-(3-methyl-butyl)-amine
CID 57910123
N,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine
CID 59363906
3-cyclopropyl-N-isopropyl-1H-pyrazol-5-amine
CID 63048309
N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine
CID 63048865
5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
CID 63049373
(Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine
CID 71098448
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine
CID 71272578
N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine
CID 91177724
N-(5-cyclopentyl-1H-pyrazol-3-yl)-N'-methylprop-2-enimidamide
CID 117718064
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide
CID 123326117
5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine
CID 143259038

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide?
The IUPAC name of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide (CID 169170207) is (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide.
What is the SMILES notation for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide?
The canonical SMILES for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide is C=C(/N=C(\C=C/C)Nc1cc(C2CC2)[nH]n1)N1CC(CC)C(F)(P)C1.
What is the InChIKey of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide?
The InChIKey is DWFKDASOZRKZNR-XQRVVYSFSA-N. The full InChI is InChI=1S/C18H27FN5P/c1-4-6-16(21-17-9-15(22-23-17)13-7-8-13)20-12(3)24-10-14(5-2)18(19,25)11-24/h4,6,9,13-14H,3,5,7-8,10-11,25H2,1-2H3,(H2,20,21,22,23)/b6-4-.
What are the key properties of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide?
(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide has a molecular weight of 363.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide is sourced from PubChem (CID 169170207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).