5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine

C21H31N5 — CID 154654183

IUPAC5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine
SMILESC=C(Nc1cn[nH]c1C(=C)NC(CCC)CCC(C)C)c1cccnc1
InChIInChI=1S/C21H31N5/c1-6-8-19(11-10-15(2)3)24-17(5)21-20(14-23-26-21)25-16(4)18-9-7-12-22-13-18/h7,9,12-15,19,24-25H,4-6,8,10-11H2,1-3H3,(H,23,26)
InChIKeyYLVYZMVCVAHTDV-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.05
Rot. Bonds11

About 5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine

5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine (PubChem CID 154654183) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine
PubChem CID154654183
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine
SMILESC=C(Nc1cn[nH]c1C(=C)NC(CCC)CCC(C)C)c1cccnc1
InChIInChI=1S/C21H31N5/c1-6-8-19(11-10-15(2)3)24-17(5)21-20(14-23-26-21)25-16(4)18-9-7-12-22-13-18/h7,9,12-15,19,24-25H,4-6,8,10-11H2,1-3H3,(H,23,26)
InChIKeyYLVYZMVCVAHTDV-UHFFFAOYSA-N
XLogP5.05
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine with MolForge

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Related Compounds

N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 71989878
N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
CID 155010064
2-pyridin-3-ylpent-1-en-3-one
CID 155931297
N'-(2-methylpentanoyl)pyridine-3-carbohydrazide
CID 78780746
N-[(Z)-propylideneamino]-1-pyridin-3-ylethenamine
CID 143941163
1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea
CID 167246935
4-pyridin-3-ylpent-4-en-2-ol
CID 130129461
methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102
N-ethyl-6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127205
N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628
N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654515
N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43190619

Frequently Asked Questions

What is the IUPAC name of 5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine?
The IUPAC name of 5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine (CID 154654183) is 5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine is C=C(Nc1cn[nH]c1C(=C)NC(CCC)CCC(C)C)c1cccnc1.
What is the InChIKey of 5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine?
The InChIKey is YLVYZMVCVAHTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-6-8-19(11-10-15(2)3)24-17(5)21-20(14-23-26-21)25-16(4)18-9-7-12-22-13-18/h7,9,12-15,19,24-25H,4-6,8,10-11H2,1-3H3,(H,23,26).
What are the key properties of 5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine?
5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine has a molecular weight of 353.51 g/mol, XLogP of 5.05, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(7-methyloctan-4-ylamino)ethenyl]-N-(1-pyridin-3-ylethenyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 154654183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).